data_[La10Pr2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I-4]
_cell_length_a [9.1082]
_cell_length_b [9.1082]
_cell_length_c [9.0366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5PrSe8]
_chemical_formula_sum '[La10 Pr2 Se16]'
_cell_volume [749.6666]
_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
[
  La  La0  8  0.1314  0.2499  0.1253  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.7500  1.0
  Se  Se3  8  0.0733  0.1743  0.8000  1.0
  Se  Se4  8  0.0747  0.3266  0.4508  1.0
]