data_[Ba6Si3Ni3Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8818]
_cell_length_b [6.8818]
_cell_length_c [15.4511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2SiNiPt6]
_chemical_formula_sum '[Ba6 Si3 Ni3 Pt18]'
_cell_volume [633.7082]
_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  6  0.0000  0.0000  0.1963  1.0
  Si  Si1  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  18  0.0688  0.5344  0.2887  1.0
]