data_[Ti2V12Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5047]
_cell_length_b [2.9595]
_cell_length_c [9.0456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(V3Cr)2]
_chemical_formula_sum '[Ti2 V12 Cr4]'
_cell_volume [240.5758]
_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  0.0000  0.0000  1
  V  V1  4  0.0073  0.0000  0.3317  1
  V  V2  4  0.1678  0.5000  0.5614  1
  V  V3  4  0.1774  0.5000  0.8809  1
  Cr  Cr4  4  0.1722  0.5000  0.2313  1
]