data_[Ce8Pt2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4832]
_cell_length_b [4.0406]
_cell_length_c [8.8015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4PtBr5]
_chemical_formula_sum '[Ce8 Pt2 Br10]'
_cell_volume [645.4093]
_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  0.0034  0.0000  0.2206  1.0
  Ce  Ce1  4  0.1666  0.5000  0.0613  1.0
  Pt  Pt2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1654  0.0000  0.7978  1.0
  Br  Br4  4  0.1683  0.0000  0.3204  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]