data_[Ni4Pt2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [11.8959]
_cell_length_b [9.7013]
_cell_length_c [6.2380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2PtBr8]
_chemical_formula_sum '[Ni4 Pt2 Br16]'
_cell_volume [712.4240]
_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
[
  Ni  Ni0  4  0.2128  0.0000  0.6586  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0925  0.1741  0.7874  1
  Br  Br3  4  0.0965  0.5000  0.2674  1
  Br  Br4  4  0.1852  0.0000  0.2752  1
]