data_[Mg8Zn4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8995]
_cell_length_b [5.7123]
_cell_length_c [5.2120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg2ZnO3]
_chemical_formula_sum '[Mg8 Zn4 O12]'
_cell_volume [294.7308]
_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  8  0.1664  0.3319  0.4491  1.0
  Zn  Zn1  4  0.0000  0.1681  0.9509  1.0
  O  O2  8  0.1683  0.3359  0.0650  1.0
  O  O3  4  0.0000  0.1679  0.5628  1.0
]