data_[Mg4Sn8Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7064]
_cell_length_b [17.5886]
_cell_length_c [7.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(SnSb)2]
_chemical_formula_sum '[Mg4 Sn8 Sb8]'
_cell_volume [584.4407]
_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  4  0.0000  0.4052  0.5996  1
  Sn  Sn1  4  0.0000  0.0271  0.7994  1
  Sn  Sn2  4  0.0000  0.1925  0.4342  1
  Sb  Sb3  4  0.0000  0.1851  0.9981  1
  Sb  Sb4  4  0.0000  0.4279  0.0112  1
]