data_[Ti8Cr22]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.0384]
_cell_length_b [9.0384]
_cell_length_c [4.6875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ti4Cr11]
_chemical_formula_sum '[Ti8 Cr22]'
_cell_volume [382.9343]
_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  8  0.0381  0.6372  0.5000  1
  Cr  Cr1  8  0.0691  0.7525  0.0000  1
  Cr  Cr2  8  0.1813  0.1813  0.2528  1
  Cr  Cr3  4  0.0977  0.9023  0.5000  1
  Cr  Cr4  2  0.0000  0.0000  0.0000  1
]