data_[Mg10Zn2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0266]
_cell_length_b [3.1541]
_cell_length_c [16.1335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg5Zn]
_chemical_formula_sum '[Mg10 Zn2]'
_cell_volume [255.7850]
_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  2  0.0000  0.0000  0.1175  1.0
  Mg  Mg1  2  0.0000  0.0000  0.4389  1.0
  Mg  Mg2  2  0.5000  0.0000  0.0005  1.0
  Mg  Mg3  2  0.5000  0.0000  0.3294  1.0
  Mg  Mg4  2  0.5000  0.0000  0.6696  1.0
  Zn  Zn5  2  0.0000  0.0000  0.7774  1.0
]