data_[K2La6Pr4Se12]
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 [18.9149]
_cell_length_b [4.3278]
_cell_length_c [8.6847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLa3(PrSe3)2]
_chemical_formula_sum '[K2 La6 Pr4 Se12]'
_cell_volume [693.0829]
_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  2  0.0000  0.5000  0.0000  1.0
  La  La1  4  0.1650  0.0000  0.8302  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  4  0.1718  0.0000  0.3439  1.0
  Se  Se4  4  0.0027  0.0000  0.2632  1.0
  Se  Se5  4  0.1645  0.5000  0.5845  1.0
  Se  Se6  4  0.1710  0.5000  0.0872  1.0
]