data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         4.0145000000
_cell_length_b        11.2020000000
_cell_length_c        11.5600000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           519.858159
_space_group_crystal_system orthorhombic
_space_group_IT_number 26
_space_group_name_H-M_alt 'Pmc2_1'
_space_group_name_Hall 'P 2c -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-1/2+z'
  '-x,y,z'
  'x,-y,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi     Bi     0.00000000000000     0.92106000000000     0.42767000000000
Bi     Bi     0.50000000000000     0.56344000000000     0.39079000000000
Bi     Bi     0.50000000000000     0.21048000000000     0.56429000000000
Pb     Pb     0.00000000000000     0.25070000000000     0.23570000000000
Cu     Cu     0.00000000000000     0.46120000000000     0.63860000000000
S      S      0.50000000000000     0.80210000000000     0.53040000000000
S      S      0.50000000000000     0.11040000000000     0.36290000000000
S      S      0.50000000000000     0.44470000000000     0.19200000000000
S      S      0.00000000000000     0.69010000000000     0.28820000000000
S      S      0.00000000000000     0.37510000000000     0.45630000000000
S      S      0.00000000000000     0.05310000000000     0.62410000000000
