data_[Mg14Al1Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4264]
_cell_length_b [6.4264]
_cell_length_c [10.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14AlBi]
_chemical_formula_sum '[Mg14 Al1 Bi1]'
_cell_volume [371.1363]
_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
[
  Mg  Mg0  6  0.1685  0.3369  0.2444  1.0
  Mg  Mg1  3  0.5003  0.4997  0.0000  1.0
  Mg  Mg2  3  0.5003  0.0006  0.5000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7493  1.0
  Al  Al4  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.0000  0.0000  0.5000  1.0
]