data_[Ti2Cr2W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3452]
_cell_length_b [4.3452]
_cell_length_c [7.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TiCrW2]
_chemical_formula_sum '[Ti2 Cr2 W4]'
_cell_volume [126.7941]
_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  0.2004  1
  Cr  Cr1  2  0.3333  0.6667  0.7165  1
  W  W2  2  0.3333  0.6667  0.0542  1
  W  W3  2  0.3333  0.6667  0.4043  1
]