data_TaSiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.21
_cell_length_c   3.12
_cell_angle_alpha   80.32
_cell_angle_beta   74.98
_cell_angle_gamma   24.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiBi
_chemical_formula_sum   'Ta1 Si1 Bi1'
_cell_volume   65.91
_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  Ta2  1  0.94  0.44  0.46  1.0
  Si  Si1  1  0.94  0.44  0.23  1.0
  Bi  Bi0  1  0.94  0.44  0.2  1.0

data_TaSiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   13.89
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   128.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSiBi
_chemical_formula_sum   'Ta2 Si2 Bi2'
_cell_volume   131.82
_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  0.15  0.0  0.59  1.0
  Si  Si1  2  0.38  0.0  0.82  1.0
  Bi  Bi2  2  0.42  0.0  0.86  1.0

Ta Si Bi
Ta Si Bi 0 2 o o o 0 1 o o o 1 2 o o o 