data_[Mg18Ga36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.7625]
_cell_length_b [9.7625]
_cell_length_c [13.8654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg6Ga12Pt]
_chemical_formula_sum '[Mg18 Ga36 Pt3]'
_cell_volume [1144.4166]
_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
[
  Mg  Mg0  18  0.0240  0.5120  0.3082  1
  Ga  Ga1  18  0.0088  0.5044  0.0953  1
  Ga  Ga2  18  0.0916  0.1831  0.8415  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]