data_[Ti4Cr8O20]
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 [Cmcm]
_cell_length_a [3.8409]
_cell_length_b [9.6298]
_cell_length_c [9.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TiCr2O5]
_chemical_formula_sum '[Ti4 Cr8 O20]'
_cell_volume [359.2945]
_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
[
  Ti  Ti0  4  0.0000  0.3074  0.2500  1
  Cr  Cr1  8  0.0000  0.3570  0.5588  1
  O  O2  8  0.0000  0.1859  0.0693  1
  O  O3  8  0.0000  0.4498  0.1210  1
  O  O4  4  0.0000  0.2570  0.7500  1
]