data_Ta2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgBi
_chemical_formula_sum   'Ta2 Ag1 Bi1'
_cell_volume   82.7
_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  0.0  0.24  1.0
  Ta  Ta3  1  0.79  0.79  0.47  1.0
  Ag  Ag0  1  0.0  0.0  0.1  1.0
  Bi  Bi1  1  0.79  0.79  0.83  1.0

data_Ta2AgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2AgBi
_chemical_formula_sum   'Ta4 Ag2 Bi2'
_cell_volume   165.4
_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  0.24  1.0
  Ta  Ta1  2  0.29  0.5  0.47  1.0
  Ag  Ag2  2  0.0  0.0  0.1  1.0
  Bi  Bi3  2  0.29  0.5  0.83  1.0

Ta Ta Ag Bi
Ta Ta Ag Bi 0 2 o o o 0 1 - - o 1 3 o o o 2 3 - - - 