data_[Co4Pt2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  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 [13.8874]
_cell_length_b [8.4257]
_cell_length_c [6.4190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co2PtBr8]
_chemical_formula_sum '[Co4 Pt2 Br16]'
_cell_volume [748.2404]
_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
[
  Co  Co0  4  0.1614  0.0000  0.4509  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0739  0.2066  0.2516  1.0
  Br  Br3  4  0.1571  0.0000  0.8216  1.0
  Br  Br4  4  0.1747  0.5000  0.5851  1.0
]