data_[Ce4Pm4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4502]
_cell_length_b [10.2575]
_cell_length_c [7.0113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce2Pm2Se7]
_chemical_formula_sum '[Ce4 Pm4 Se14]'
_cell_volume [679.6388]
_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  0.0000  0.2685  0.0000  1
  Pm  Pm1  4  0.2279  0.5000  0.5000  1
  Se  Se2  8  0.2500  0.2500  0.2589  1
  Se  Se3  4  0.0000  0.5000  0.2418  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]