data_[Mg8Cr8O28]
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 [C2/c]
_cell_length_a [7.5610]
_cell_length_b [8.4356]
_cell_length_c [10.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2Cr2O7]
_chemical_formula_sum '[Mg8 Cr8 O28]'
_cell_volume [606.6424]
_cell_formula_units_Z [4]
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  8  0.0554  0.3222  0.9820  1
  Cr  Cr1  8  0.1960  0.0130  0.2112  1
  O  O2  8  0.1175  0.4974  0.1322  1
  O  O3  8  0.1322  0.1518  0.6169  1
  O  O4  8  0.2419  0.1585  0.1056  1
  O  O5  4  0.0000  0.0933  0.2500  1
]