data_[Ba18Ni3Pt3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1260]
_cell_length_b [8.1260]
_cell_length_c [22.5583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6NiPtAu2]
_chemical_formula_sum '[Ba18 Ni3 Pt3 Au6]'
_cell_volume [1290.0104]
_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
[
  Ba  Ba0  9  0.0290  0.3388  0.7524  1.0
  Ba  Ba1  9  0.0291  0.6900  0.2524  1.0
  Ni  Ni2  3  0.0000  0.0000  0.6719  1.0
  Pt  Pt3  3  0.0000  0.0000  0.1726  1.0
  Au  Au4  3  0.0000  0.0000  0.4908  1.0
  Au  Au5  3  0.0000  0.0000  0.9901  1.0
]