data_[Mg14Bi1C1]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3453]
_cell_length_b [6.3453]
_cell_length_c [10.0362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14BiC]
_chemical_formula_sum '[Mg14 Bi1 C1]'
_cell_volume [349.9519]
_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  0.1612  0.3223  0.2243  1
  Mg  Mg1  3  0.0055  0.5028  0.5000  1
  Mg  Mg2  3  0.5067  0.0135  0.0000  1
  Mg  Mg3  2  0.6667  0.3333  0.2526  1
  Bi  Bi4  1  0.0000  0.0000  0.5000  1
  C  C5  1  0.0000  0.0000  0.0000  1
]