data_[Mg2V4Cr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2225]
_cell_length_b [5.6655]
_cell_length_c [8.7718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgV2Cr2O8]
_chemical_formula_sum '[Mg2 V4 Cr4 O16]'
_cell_volume [309.2366]
_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  0.5000  0.0000  0.6603  1
  V  V1  2  0.0000  0.0000  0.6440  1
  V  V2  2  0.5000  0.0000  0.3351  1
  Cr  Cr3  4  0.2466  0.0000  0.0030  1
  O  O4  4  0.0000  0.2349  0.0243  1
  O  O5  4  0.2300  0.0000  0.7732  1
  O  O6  4  0.2686  0.0000  0.2285  1
  O  O7  4  0.5000  0.2491  0.9939  1
]