data_[Mg4Zr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1183]
_cell_length_b [3.3674]
_cell_length_c [5.2040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2ZrO4]
_chemical_formula_sum '[Mg4 Zr2 O8]'
_cell_volume [187.0195]
_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  4  0.1458  0.5000  0.5207  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0526  0.5000  0.7934  1
  O  O3  4  0.1631  0.0000  0.3251  1
]