data_[Mg14Ga1Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3957]
_cell_length_b [6.3957]
_cell_length_c [10.3351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14GaBi]
_chemical_formula_sum '[Mg14 Ga1 Bi1]'
_cell_volume [366.1224]
_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  0.1688  0.3375  0.2447  1.0
  Mg  Mg1  3  0.5003  0.4997  0.5000  1.0
  Mg  Mg2  3  0.5004  0.0008  0.0000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7492  1.0
  Ga  Ga4  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.0000  0.0000  0.5000  1.0
]