data_TaGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92
_cell_length_b   10.92
_cell_length_c   10.92
_cell_angle_alpha   17.55
_cell_angle_beta   17.55
_cell_angle_gamma   17.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaBi2
_chemical_formula_sum   'Ta1 Ga1 Bi2'
_cell_volume   103.23
_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  Ta3  1  0.0  0.0  0.12  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.72  1.0
  Bi  Bi1  1  0.0  0.0  0.52  1.0

data_TaGaBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   3.33
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaGaBi2
_chemical_formula_sum   'Ta2 Ga2 Bi4'
_cell_volume   206.46
_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  -0.0  0.0  0.88  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  -0.0  0.0  0.28  1.0
  Bi  Bi3  2  -0.0  0.0  0.48  1.0

Ta Ga Bi Bi
Ta Ga Bi Bi 0 1 o o o 2 3 o o o 