data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        11.3500000000
_cell_length_b         3.7490000000
_cell_length_c         5.4560000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           232.159074
_space_group_crystal_system orthorhombic
_space_group_IT_number 33
_space_group_name_H-M_alt 'Pna2_1'
_space_group_name_Hall 'P 2c -2n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-1/2+y,-z'
  '-1/2-x,-1/2+y,-1/2+z'
  '-1/2+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
Cu     Cu     0.32617000000000     0.77008000000000     0.43823000000000
As     As     0.48668000000000     0.78133000000000     0.14766000000000
S      S      0.16668000000000     0.78717000000000     0.17903000000000
