data_[K1La1Pr2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [7.2114]
_cell_length_b [4.1608]
_cell_length_c [7.3313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLa(PrS2)2]
_chemical_formula_sum '[K1 La1 Pr2 S4]'
_cell_volume [208.0154]
_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  0.5000  0.0000  0.5000  1.0
  La  La1  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2348  0.5000  0.2343  1.0
  S  S5  2  0.2452  0.0000  0.7562  1.0
]