data_[Ti2Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.4970]
_cell_length_b [5.4521]
_cell_length_c [4.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TiCrO4]
_chemical_formula_sum '[Ti2 Cr2 O8]'
_cell_volume [121.9897]
_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
[
  Ti  Ti0  2  0.0000  0.1680  0.2500  1.0
  Cr  Cr1  2  0.5000  0.3469  0.7500  1.0
  O  O2  4  0.2300  0.1229  0.5891  1.0
  O  O3  4  0.2731  0.3809  0.0823  1.0
]