data_[Cs4Pr2Te4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8826]
_cell_length_b [7.6545]
_cell_length_c [9.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pr(TeS3)2]
_chemical_formula_sum '[Cs4 Pr2 Te4 S12]'
_cell_volume [781.0354]
_cell_formula_units_Z [2]
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  Cs0  4  0.1971  0.5000  0.1358  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0769  0.0000  0.2379  1
  S  S3  8  0.0367  0.2719  0.7619  1
  S  S4  4  0.2495  0.0000  0.4703  1
]