data_[Mg14Nb1Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3648]
_cell_length_b [6.3648]
_cell_length_c [10.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14NbBi]
_chemical_formula_sum '[Mg14 Nb1 Bi1]'
_cell_volume [362.3201]
_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  0.1636  0.8364  0.2398  1.0
  Mg  Mg1  3  0.0012  0.5006  0.0000  1.0
  Mg  Mg2  3  0.5007  0.4993  0.5000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7537  1.0
  Nb  Nb4  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.0000  0.0000  0.5000  1.0
]