data_[Mg12Cr2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0528]
_cell_length_b [6.3592]
_cell_length_c [10.8298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg6CrSb]
_chemical_formula_sum '[Mg12 Cr2 Sb2]'
_cell_volume [347.9798]
_cell_formula_units_Z [2]
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  4  0.0000  0.2440  0.9186  1
  Mg  Mg1  4  0.5000  0.2468  0.0852  1
  Mg  Mg2  2  0.0000  0.0000  0.6659  1
  Mg  Mg3  2  0.5000  0.0000  0.8321  1
  Cr  Cr4  2  0.0000  0.0000  0.1672  1
  Sb  Sb5  2  0.5000  0.0000  0.3274  1
]