data_[Li3B1Pt3Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2026]
_cell_length_b [7.2026]
_cell_length_c [2.8269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li3BPt3Au2]
_chemical_formula_sum '[Li3 B1 Pt3 Au2]'
_cell_volume [127.0049]
_cell_formula_units_Z [1]
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
[
  Li  Li0  3  0.0000  0.6207  0.0000  1
  B  B1  1  0.0000  0.0000  0.0000  1
  Pt  Pt2  3  0.0000  0.2331  0.5000  1
  Au  Au3  2  0.3333  0.6667  0.5000  1
]