data_[In4B2P2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.5410]
_cell_length_b [5.5410]
_cell_length_c [11.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [In2BPPt6]
_chemical_formula_sum '[In4 B2 P2 Pt12]'
_cell_volume [351.8250]
_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  0.0000  0.5000  0.2671  1.0
  B  B1  2  0.0000  0.0000  0.0499  1.0
  P  P2  2  0.0000  0.0000  0.5652  1.0
  Pt  Pt3  8  0.2450  0.2450  0.9585  1.0
  Pt  Pt4  2  0.0000  0.0000  0.2289  1.0
  Pt  Pt5  2  0.0000  0.0000  0.7625  1.0
]