data_Ta2TiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   2.82
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiW
_chemical_formula_sum   'Ta2 Ti1 W1'
_cell_volume   69.29
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.94  0.7  0.33  1.0
  Ta  Ta1  1  0.94  0.3  0.33  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.82  0.0  0.0  1.0

data_Ta2TiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   116.99
_cell_angle_beta   100.02
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiW
_chemical_formula_sum   'Ta2 Ti1 W1'
_cell_volume   69.29
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.33  0.94  0.3  1.0
  Ta  Ta1  1  0.33  0.94  0.7  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.82  0.0  1.0

Ta Ta Ti W