data_[Mg2Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1401]
_cell_length_b [5.4641]
_cell_length_c [9.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgCr2O6]
_chemical_formula_sum '[Mg2 Cr4 O12]'
_cell_volume [274.1423]
_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  0.4379  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0644  1.0
  Cr  Cr2  2  0.5000  0.0000  0.9347  1.0
  O  O3  8  0.2421  0.2198  0.9952  1.0
  O  O4  2  0.0000  0.0000  0.2326  1.0
  O  O5  2  0.5000  0.0000  0.7725  1.0
]