data_[Mg2Zn6O8]
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 [Pmn2_1]
_cell_length_a [6.5738]
_cell_length_b [5.6919]
_cell_length_c [5.2709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgZn3O4]
_chemical_formula_sum '[Mg2 Zn6 O8]'
_cell_volume [197.2247]
_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  0.1660  0.0051  1.0
  Zn  Zn1  4  0.2499  0.3341  0.5050  1.0
  Zn  Zn2  2  0.0000  0.8309  0.5046  1.0
  O  O3  4  0.2481  0.3321  0.1232  1.0
  O  O4  2  0.0000  0.1659  0.6262  1.0
  O  O5  2  0.0000  0.8348  0.1230  1.0
]