data_[Mg14Ni1Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3258]
_cell_length_b [6.3258]
_cell_length_c [10.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14NiBi]
_chemical_formula_sum '[Mg14 Ni1 Bi1]'
_cell_volume [352.0459]
_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  0.1632  0.3264  0.2312  1
  Mg  Mg1  3  0.0047  0.5023  0.5000  1
  Mg  Mg2  3  0.5040  0.0080  0.0000  1
  Mg  Mg3  2  0.6667  0.3333  0.2540  1
  Ni  Ni4  1  0.0000  0.0000  0.0000  1
  Bi  Bi5  1  0.0000  0.0000  0.5000  1
]