data_[Y6B4Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0192]
_cell_length_b [6.0192]
_cell_length_c [14.7126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Y3B2Pt9]
_chemical_formula_sum '[Y6 B4 Pt18]'
_cell_volume [461.6330]
_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
[
  Y  Y0  4  0.3333  0.6667  0.4208  1
  Y  Y1  2  0.0000  0.0000  0.2500  1
  B  B2  4  0.3333  0.6667  0.6585  1
  Pt  Pt3  12  0.1598  0.3197  0.5808  1
  Pt  Pt4  6  0.0117  0.5058  0.2500  1
]