data_TiBiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   6.97
_cell_length_c   3.1
_cell_angle_alpha   81.75
_cell_angle_beta   73.06
_cell_angle_gamma   25.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBiW
_chemical_formula_sum   'Ti1 Bi1 W1'
_cell_volume   60.65
_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  0.76  0.55  0.16  1.0
  Bi  Bi0  1  0.76  0.55  0.48  1.0
  W  W2  1  0.76  0.55  0.33  1.0

data_TiBiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.52
_cell_length_b   13.49
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   124.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBiW
_chemical_formula_sum   'Ti2 Bi2 W2'
_cell_volume   121.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.03  0.5  0.08  1.0
  Bi  Bi1  2  0.2  0.0  0.76  1.0
  W  W2  2  0.35  0.0  0.9  1.0

Ti Bi W
Ti Bi W 0 2 o o o 1 2 o o o 