data_[Ce1Pr1Bi2Se2]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3622]
_cell_length_b [4.3622]
_cell_length_c [9.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CePr(BiSe)2]
_chemical_formula_sum '[Ce1 Pr1 Bi2 Se2]'
_cell_volume [176.5908]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3044  1
  Pr  Pr1  1  0.5000  0.5000  0.6955  1
  Bi  Bi2  2  0.0000  0.5000  0.9998  1
  Se  Se3  1  0.0000  0.0000  0.6307  1
  Se  Se4  1  0.5000  0.5000  0.3699  1
]