data_TaBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   133.06
_cell_angle_beta   133.06
_cell_angle_gamma   68.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiW2
_chemical_formula_sum   'Ta1 Bi1 W2'
_cell_volume   74.11
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.07  0.15  1.0
  W  W2  1  0.07  0.0  0.15  1.0
  W  W3  1  0.0  0.0  0.3  1.0

data_TaBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.21
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiW2
_chemical_formula_sum   'Ta1 Bi1 W2'
_cell_volume   74.11
_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  0.0  1.0
  Bi  Bi1  1  0.08  0.15  0.08  1.0
  W  W2  1  0.15  0.08  0.08  1.0
  W  W3  1  0.3  0.3  0.3  1.0

Ta Bi W W
Ta Bi W W 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 