data_[Mg4Co4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8754]
_cell_length_b [3.8174]
_cell_length_c [7.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCoSb]
_chemical_formula_sum '[Mg4 Co4 Sb4]'
_cell_volume [215.9775]
_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  0.0204  0.5000  0.5462  1
  Mg  Mg1  2  0.2649  0.5000  0.0828  1
  Co  Co2  2  0.2329  0.0000  0.7687  1
  Co  Co3  2  0.4929  0.0000  0.1220  1
  Sb  Sb4  2  0.1583  0.0000  0.3629  1
  Sb  Sb5  2  0.4599  0.5000  0.8444  1
]