data_[Mg24Bi12Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0282]
_cell_length_b [14.1763]
_cell_length_c [7.1598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg6Bi3Sb]
_chemical_formula_sum '[Mg24 Bi12 Sb4]'
_cell_volume [1220.8582]
_cell_formula_units_Z [4]
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  8  0.1532  0.4828  0.1949  1.0
  Mg  Mg1  8  0.1628  0.2522  0.6809  1.0
  Mg  Mg2  4  0.0000  0.0228  0.7836  1.0
  Mg  Mg3  4  0.0000  0.2072  0.1064  1.0
  Bi  Bi4  8  0.2055  0.1107  0.9744  1.0
  Bi  Bi5  4  0.0000  0.3915  0.9164  1.0
  Sb  Sb6  4  0.0000  0.1545  0.4785  1.0
]