data_CsPrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   29.32
_cell_angle_beta   29.32
_cell_angle_gamma   29.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPrS2
_chemical_formula_sum   'Cs1 Pr1 S2'
_cell_volume   129.0
_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
  Cs  Cs2  1  0.0  0.0  0.0  1.0
  Pr  Pr3  1  0.0  0.0  0.15  1.0
  S  S0  1  0.0  0.0  0.74  1.0
  S  S1  1  0.0  0.0  0.57  1.0

data_CsPrS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.43
_cell_length_b   4.29
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CsPrS2
_chemical_formula_sum   'Cs2 Pr2 S4'
_cell_volume   257.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cs  Cs0  2  0.0  0.0  0.0  1.0
  Pr  Pr1  2  0.0  0.0  0.85  1.0
  S  S2  2  0.0  0.0  0.26  1.0
  S  S3  2  0.0  0.0  0.43  1.0

Cs Pr S S