data_CuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.89
_cell_angle_alpha   92.8
_cell_angle_beta   92.8
_cell_angle_gamma   39.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS3
_chemical_formula_sum   'Cu1 S3'
_cell_volume   90.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.51  0.0  0.94  1.0
  S  S1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.87  0.0  0.01  1.0
  S  S3  1  0.14  0.0  0.87  1.0

data_CuS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.94
_cell_length_c   5.89
_cell_angle_alpha   92.8
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS3
_chemical_formula_sum   'Cu1 S3'
_cell_volume   90.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.0  0.49  0.06  1.0
  S  S1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.13  0.99  1.0
  S  S3  1  0.0  0.86  0.13  1.0

Cu S S S