data_[Mg15Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3682]
_cell_length_b [6.3682]
_cell_length_c [10.4799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg15Sb]
_chemical_formula_sum '[Mg15 Sb1]'
_cell_volume [368.0609]
_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  0.1671  0.3342  0.2498  1.0
  Mg  Mg1  3  0.0005  0.5002  0.0000  1.0
  Mg  Mg2  3  0.5004  0.0008  0.5000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7501  1.0
  Mg  Mg4  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb5  1  0.0000  0.0000  0.5000  1.0
]