data_[Ce10Pr2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [8.9299]
_cell_length_b [8.9299]
_cell_length_c [8.9435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce5PrSe8]
_chemical_formula_sum '[Ce10 Pr2 Se16]'
_cell_volume [713.1845]
_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
[
  Ce  Ce0  8  0.1260  0.2495  0.1253  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Pr  Pr2  2  0.0000  0.5000  0.7500  1
  Se  Se3  8  0.0756  0.3252  0.4505  1
  Se  Se4  8  0.0760  0.1733  0.7996  1
]