data_[Mg28Zn2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.2607]
_cell_length_b [6.2658]
_cell_length_c [10.7633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14ZnSi]
_chemical_formula_sum '[Mg28 Zn2 Si2]'
_cell_volume [691.9834]
_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  0.2594  0.2498  0.4142  1.0
  Mg  Mg1  4  0.0000  0.2491  0.0827  1.0
  Mg  Mg2  4  0.2502  0.0000  0.6680  1.0
  Mg  Mg3  4  0.2522  0.0000  0.1684  1.0
  Mg  Mg4  4  0.5000  0.2493  0.5856  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3343  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8350  1.0
  Zn  Zn7  2  0.5000  0.0000  0.8316  1.0
  Si  Si8  2  0.5000  0.0000  0.3326  1.0
]