data_[Mg8Cd12Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.8338]
_cell_length_b [5.0097]
_cell_length_c [15.2810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2(CdSb)3]
_chemical_formula_sum '[Mg8 Cd12 Sb12]'
_cell_volume [1135.5030]
_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  2  0.2422  0.5000  0.0809  1
  Mg  Mg1  2  0.2578  0.0000  0.5714  1
  Mg  Mg2  2  0.2681  0.0000  0.9195  1
  Mg  Mg3  2  0.4397  0.5000  0.4086  1
  Cd  Cd4  2  0.0471  0.0000  0.5947  1
  Cd  Cd5  2  0.0505  0.0000  0.8990  1
  Cd  Cd6  2  0.2243  0.5000  0.4227  1
  Cd  Cd7  2  0.2380  0.0000  0.2492  1
  Cd  Cd8  2  0.2621  0.5000  0.7532  1
  Cd  Cd9  2  0.4579  0.5000  0.1036  1
  Sb  Sb10  2  0.1297  0.0000  0.4165  1
  Sb  Sb11  2  0.1470  0.0000  0.0721  1
  Sb  Sb12  2  0.1581  0.0000  0.7473  1
  Sb  Sb13  2  0.3415  0.5000  0.2520  1
  Sb  Sb14  2  0.3542  0.5000  0.5799  1
  Sb  Sb15  2  0.3619  0.5000  0.9249  1
]