data_[B21Ir3Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5087]
_cell_length_b [11.5087]
_cell_length_c [7.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [B7IrPt12]
_chemical_formula_sum '[B21 Ir3 Pt36]'
_cell_volume [809.3822]
_cell_formula_units_Z [3]
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  18  0.0378  0.8543  0.7949  1
  B  B1  3  0.0000  0.0000  0.5000  1
  Ir  Ir2  3  -0.0000  0.0000  0.0000  1
  Pt  Pt3  18  0.0407  0.4864  0.6806  1
  Pt  Pt4  18  0.0427  0.8597  0.3506  1
]