data_TaAgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgBi
_chemical_formula_sum   'Ta1 Ag1 Bi1'
_cell_volume   64.67
_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  0.85  0.02  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Bi  Bi1  1  0.47  0.43  0.0  1.0

data_TaAgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgBi
_chemical_formula_sum   'Ta1 Ag1 Bi1'
_cell_volume   64.67
_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  0.02  -0.0  0.85  1.0
  Ag  Ag1  1  0.04  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.47  0.43  1.0

Ta Ag Bi
Ta Ag Bi 0 1 o + o 0 2 o + o 0 2 - o o 1 2 o o o 1 2 - - o 