data_[Ce8Se10F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7584]
_cell_length_b [4.2414]
_cell_length_c [7.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4Se5F2]
_chemical_formula_sum '[Ce8 Se10 F4]'
_cell_volume [586.5753]
_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  0.0150  0.0000  0.7537  1
  Ce  Ce1  4  0.2092  0.5000  0.7203  1
  Se  Se2  4  0.1528  0.0000  0.4523  1
  Se  Se3  4  0.1710  0.0000  0.9467  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
  F  F5  4  0.0589  0.5000  0.6581  1
]