data_[Mg14Si1Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3303]
_cell_length_b [6.3303]
_cell_length_c [10.2194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14SiSb]
_chemical_formula_sum '[Mg14 Si1 Sb1]'
_cell_volume [354.6576]
_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  0.1675  0.3351  0.2444  1.0
  Mg  Mg1  3  0.5004  0.0009  0.5000  1.0
  Mg  Mg2  3  0.5007  0.0014  0.0000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7493  1.0
  Si  Si4  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb5  1  0.0000  0.0000  0.5000  1.0
]