data_[Mg2Cr4O14]
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 [P2_1]
_cell_length_a [6.4001]
_cell_length_b [6.5880]
_cell_length_c [7.7171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MgCr2O7]
_chemical_formula_sum '[Mg2 Cr4 O14]'
_cell_volume [307.3955]
_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  0.1101  0.8786  0.6514  1.0
  Cr  Cr1  2  0.1025  0.3604  0.7905  1.0
  Cr  Cr2  2  0.3493  0.3187  0.2178  1.0
  O  O3  2  0.0579  0.2300  0.5911  1.0
  O  O4  2  0.1258  0.8754  0.1692  1.0
  O  O5  2  0.1261  0.4336  0.2343  1.0
  O  O6  2  0.1860  0.5917  0.7658  1.0
  O  O7  2  0.2869  0.2371  0.9829  1.0
  O  O8  2  0.4098  0.1305  0.3541  1.0
  O  O9  2  0.4315  0.9690  0.7343  1.0
]