data_[In4Pt2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [14.2484]
_cell_length_b [7.4890]
_cell_length_c [9.2736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2PtBr8]
_chemical_formula_sum '[In4 Pt2 Br16]'
_cell_volume [955.1039]
_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
[
  In  In0  4  0.2276  0.0000  0.3179  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1074  0.2318  0.1420  1.0
  Br  Br3  4  0.1065  0.5000  0.7187  1.0
  Br  Br4  4  0.1992  0.0000  0.5741  1.0
]