data_TiBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.74
_cell_angle_alpha   102.01
_cell_angle_beta   102.01
_cell_angle_gamma   37.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBiW2
_chemical_formula_sum   'Ti1 Bi1 W2'
_cell_volume   73.96
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.33  0.0  0.31  1.0
  W  W2  1  0.01  0.0  0.02  1.0
  W  W3  1  0.65  0.0  0.61  1.0

data_TiBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.74
_cell_length_c   5.13
_cell_angle_alpha   102.01
_cell_angle_beta   108.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBiW2
_chemical_formula_sum   'Ti1 Bi1 W2'
_cell_volume   73.96
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.31  0.33  1.0
  W  W2  1  0.0  0.02  0.01  1.0
  W  W3  1  0.0  0.61  0.65  1.0

Ti Bi W W