data_[Mg4Zr4O14]
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 [7.6000]
_cell_length_b [7.0632]
_cell_length_c [5.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Zr2O7]
_chemical_formula_sum '[Mg4 Zr4 O14]'
_cell_volume [284.2371]
_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  0.0000  0.2923  0.0000  1
  Zr  Zr1  4  0.2268  0.5000  0.5094  1
  O  O2  8  0.2158  0.2394  0.2481  1
  O  O3  4  0.0210  0.5000  0.7449  1
  O  O4  2  0.0000  0.0000  0.5000  1
]