data_[B4H4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6304]
_cell_length_b [6.0930]
_cell_length_c [8.3378]
_cell_angle_alpha [97.4423]
_cell_angle_beta [90.1528]
_cell_angle_gamma [90.8149]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BHPt3]
_chemical_formula_sum '[B4 H4 Pt12]'
_cell_volume [283.5923]
_cell_formula_units_Z [4]
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
[
  B  B0  2  0.0037  0.3291  0.8361  1
  B  B1  2  0.4986  0.1643  0.6733  1
  H  H2  2  0.2068  0.6558  0.5560  1
  H  H3  2  0.2668  0.2375  0.2587  1
  Pt  Pt4  2  0.0003  0.6859  0.9131  1
  Pt  Pt5  2  0.2480  0.5691  0.3366  1
  Pt  Pt6  2  0.2488  0.0637  0.8416  1
  Pt  Pt7  2  0.2492  0.9391  0.1569  1
  Pt  Pt8  2  0.2493  0.4278  0.6668  1
  Pt  Pt9  2  0.4986  0.8169  0.5899  1
]