data_Ta2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   138.14
_cell_angle_beta   120.78
_cell_angle_gamma   75.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeBi
_chemical_formula_sum   'Ta2 Ge1 Bi1'
_cell_volume   80.18
_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  0.0  0.59  0.37  1.0
  Ta  Ta3  1  0.87  0.0  0.77  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.15  1.0

data_Ta2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.17
_cell_length_c   5.23
_cell_angle_alpha   119.61
_cell_angle_beta   110.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeBi
_chemical_formula_sum   'Ta2 Ge1 Bi1'
_cell_volume   80.18
_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  0.77  0.9  1.0
  Ta  Ta1  1  0.41  0.79  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.15  0.15  1.0

Ta Ta Ge Bi
Ta Ta Ge Bi 0 1 - o - 0 1 - + o 0 2 o + + 0 2 o o o 0 3 o o o 1 2 + o + 2 3 o o o 