data_[K6La4Pr2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0001]
_cell_length_b [4.4299]
_cell_length_c [9.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2PrSe6]
_chemical_formula_sum '[K6 La4 Pr2 Se12]'
_cell_volume [784.5050]
_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
[
  K  K0  4  0.1665  0.0000  0.8328  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.1661  0.0000  0.3319  1.0
  Pr  Pr3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0077  0.0000  0.2272  1.0
  Se  Se5  4  0.1574  0.5000  0.1026  1.0
  Se  Se6  4  0.1752  0.5000  0.5616  1.0
]