data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.1577000000
_cell_length_b         7.4127000000
_cell_length_c         6.4404000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           293.973235
_space_group_crystal_system orthorhombic
_space_group_IT_number 31
_space_group_name_H-M_alt 'Pmn2_1'
_space_group_name_Hall 'P 2ac -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-1/2+x,-1/2-y,-z'
  'x,-y,z'
  '-1/2+x,-1/2+y,-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu     Cu     0.50050000000000     0.00000000000000     0.15330000000000
Cu     Cu     0.99190000000000     0.24780000000000     0.32580000000000
As     As     0.00000000000000     0.00000000000000     0.82770000000000
S      S      0.64110000000000     0.00000000000000     0.82250000000000
S      S      0.12550000000000     0.00000000000000     0.14740000000000
S      S      0.61990000000000     0.25650000000000     0.33540000000000
