data_[Ce8Pr8Se6]
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 [Amm2]
_cell_length_a [10.6534]
_cell_length_b [3.6986]
_cell_length_c [17.5157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce4Pr4Se3]
_chemical_formula_sum '[Ce8 Pr8 Se6]'
_cell_volume [690.1619]
_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  4  0.2327  0.0000  0.7620  1
  Ce  Ce1  2  0.0000  0.0000  0.9159  1
  Ce  Ce2  2  0.5000  0.0000  0.8993  1
  Pr  Pr3  4  0.2754  0.0000  0.0537  1
  Pr  Pr4  2  0.0000  0.0000  0.6146  1
  Pr  Pr5  2  0.5000  0.0000  0.6602  1
  Se  Se6  4  0.2607  0.0000  0.4054  1
  Se  Se7  2  0.0000  0.0000  0.2643  1
]