data_TaAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.46
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Bi
_chemical_formula_sum   'Ta1 Ag2 Bi1'
_cell_volume   82.75
_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  0.0  1.0
  Ag  Ag0  1  0.44  0.23  0.36  1.0
  Ag  Ag1  1  0.23  0.23  0.65  1.0
  Bi  Bi2  1  0.79  0.0  0.0  1.0

data_TaAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.46
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Bi
_chemical_formula_sum   'Ta1 Ag2 Bi1'
_cell_volume   82.75
_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
  Ag  Ag1  1  0.23  0.23  0.65  1.0
  Ag  Ag2  1  0.44  0.23  0.36  1.0
  Bi  Bi3  1  0.79  0.0  0.0  1.0

Ta Ag Ag Bi