data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        11.4345000000
_cell_length_b        11.4345000000
_cell_length_c         9.8068000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          1282.217429
_space_group_crystal_system tetragonal
_space_group_IT_number 80
_space_group_name_H-M_alt 'I4_1'
_space_group_name_Hall 'I 4bw'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-1/2+y,-x,-1/4+z'
  '-x,-y,z'
  '-1/2-y,x,-1/4+z'
  '-1/2+x,-1/2+y,-1/2+z'
  'y,-1/2-x,-3/4+z'
  '-1/2-x,-1/2-y,-1/2+z'
  '-y,-1/2+x,-3/4+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C      C      0.99590000000000     0.36050000000000     0.17720000000000
C      C      0.91170000000000     0.27610000000000     0.16660000000000
H      H      0.85450000000000     0.28080000000000     0.09940000000000
C      C      0.91300000000000     0.18220000000000     0.25910000000000
H      H      0.85670000000000     0.12370000000000     0.25300000000000
C      C      0.99570000000000     0.17690000000000     0.35630000000000
H      H      0.99550000000000     0.11460000000000     0.41710000000000
C      C      0.08070000000000     0.26170000000000     0.36810000000000
H      H      0.13760000000000     0.25610000000000     0.43550000000000
C      C      0.08040000000000     0.35460000000000     0.27900000000000
H      H      0.13640000000000     0.41320000000000     0.28680000000000
Br     Br     0.23428000000000     0.49056000000000     0.02656000000000
Te     Te     0.00000000000000     0.50000000000000     0.03297000000000
