data_[Ce21Pt3Br36]
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 [R-3]
_cell_length_a [15.4916]
_cell_length_b [15.4916]
_cell_length_c [10.2337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce7PtBr12]
_chemical_formula_sum '[Ce21 Pt3 Br36]'
_cell_volume [2126.9219]
_cell_formula_units_Z [3]
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  18  0.0420  0.8751  0.8351  1.0
  Ce  Ce1  3  0.0000  0.0000  0.5000  1.0
  Pt  Pt2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0272  0.4415  0.6607  1.0
  Br  Br4  18  0.0472  0.8636  0.3428  1.0
]