data_TaBiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   142.76
_cell_angle_beta   142.76
_cell_angle_gamma   53.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiW
_chemical_formula_sum   'Ta1 Bi1 W1'
_cell_volume   60.83
_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  Ta1  1  0.0  0.0  0.75  1.0
  Bi  Bi0  1  0.0  0.0  0.81  1.0
  W  W2  1  0.0  0.0  0.1  1.0

data_TaBiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   116.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBiW
_chemical_formula_sum   'Ta2 Bi2 W2'
_cell_volume   121.67
_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
  Ta  Ta0  2  0.25  0.5  0.75  1.0
  Bi  Bi1  2  0.31  0.5  0.81  1.0
  W  W2  2  0.1  0.0  0.1  1.0

Ta Bi W
Ta Bi W 0 1 o o o 1 2 o o + 