data_[Cs4Pr4Zn4S12]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1585]
_cell_length_b [15.6247]
_cell_length_c [11.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsPrZnS3]
_chemical_formula_sum '[Cs4 Pr4 Zn4 S12]'
_cell_volume [716.5410]
_cell_formula_units_Z [4]
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  0.0000  0.2585  0.7500  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.0000  0.4622  0.2500  1
  S  S3  8  0.0000  0.3846  0.0705  1
  S  S4  4  0.0000  0.0521  0.2500  1
]