data_[Ce8Sb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4018]
_cell_length_b [4.1106]
_cell_length_c [8.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2SbF3]
_chemical_formula_sum '[Ce8 Sb4 F12]'
_cell_volume [472.6643]
_cell_formula_units_Z [4]
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  0.0245  0.5000  0.2353  1.0
  Ce  Ce1  4  0.2009  0.0000  0.6934  1.0
  Sb  Sb2  4  0.1354  0.0000  0.0454  1.0
  F  F3  4  0.0590  0.0000  0.4066  1.0
  F  F4  4  0.1009  0.5000  0.6617  1.0
  F  F5  4  0.1901  0.5000  0.4540  1.0
]