data_[K4La4Pr4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6739]
_cell_length_b [3.8490]
_cell_length_c [20.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLaPr]
_chemical_formula_sum '[K4 La4 Pr4]'
_cell_volume [525.7755]
_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
[
  K  K0  4  0.1798  0.0000  0.6026  1
  La  La1  4  0.1929  0.5000  0.0779  1
  Pr  Pr2  4  0.0856  0.5000  0.7814  1
]