data_[Mg12Bi6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.2046]
_cell_length_b [12.3026]
_cell_length_c [4.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Mg6Bi3Pt]
_chemical_formula_sum '[Mg12 Bi6 Pt2]'
_cell_volume [526.3634]
_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
[
  Mg  Mg0  4  0.0888  0.9001  0.5000  1
  Mg  Mg1  4  0.1212  0.2004  0.0000  1
  Mg  Mg2  4  0.2069  0.4855  0.5000  1
  Bi  Bi3  4  0.1860  0.7343  0.0000  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  2  0.0000  0.0000  0.0000  1
]