data_[Mg28Zn2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.2868]
_cell_length_b [6.4723]
_cell_length_c [10.8364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14ZnSb]
_chemical_formula_sum '[Mg28 Zn2 Sb2]'
_cell_volume [721.4771]
_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  8  0.2523  0.2458  0.9159  1.0
  Mg  Mg1  4  0.0000  0.2496  0.0832  1.0
  Mg  Mg2  4  0.2482  0.0000  0.1658  1.0
  Mg  Mg3  4  0.2516  0.0000  0.6679  1.0
  Mg  Mg4  4  0.5000  0.2495  0.5844  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3341  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8343  1.0
  Zn  Zn7  2  0.5000  0.0000  0.8318  1.0
  Sb  Sb8  2  0.5000  0.0000  0.3333  1.0
]