data_Ta2TiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.46
_cell_angle_alpha   90.88
_cell_angle_beta   90.88
_cell_angle_gamma   32.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiW
_chemical_formula_sum   'Ta2 Ti1 W1'
_cell_volume   70.36
_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  0.0  0.0  0.35  1.0
  Ta  Ta1  1  0.3  0.0  0.11  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.65  0.0  0.73  1.0

data_Ta2TiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.89
_cell_length_c   5.46
_cell_angle_alpha   90.88
_cell_angle_beta   90.0
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiW
_chemical_formula_sum   'Ta2 Ti1 W1'
_cell_volume   70.36
_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  0.0  0.7  0.89  1.0
  Ta  Ta1  1  0.0  1.0  0.65  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.35  0.27  1.0

Ta Ta Ti W