data_[Mg4Cr6O16]
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/m]
_cell_length_a [10.2705]
_cell_length_b [5.8727]
_cell_length_c [4.9398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Cr3O8]
_chemical_formula_sum '[Mg4 Cr6 O16]'
_cell_volume [279.0420]
_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  0.2253  0.5000  0.6551  1
  Cr  Cr1  4  0.0000  0.2609  0.0000  1
  Cr  Cr2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1136  0.2251  0.4079  1
  O  O4  4  0.1025  0.5000  0.9168  1
  O  O5  4  0.1097  0.0000  0.9225  1
]