data_[K2Ce1Pr1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3171]
_cell_length_b [4.2287]
_cell_length_c [7.7694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2CePrS4]
_chemical_formula_sum '[K2 Ce1 Pr1 S4]'
_cell_volume [228.2364]
_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
[
  K  K0  1  0.0000  0.5000  0.5000  1.0
  K  K1  1  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2379  0.5000  0.2083  1.0
  S  S5  2  0.2664  0.0000  0.7933  1.0
]