data_TlAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   134.48
_cell_angle_beta   134.48
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Bi
_chemical_formula_sum   'Tl1 Ag2 Bi1'
_cell_volume   95.57
_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
  Tl  Tl3  1  0.0  0.0  0.82  1.0
  Ag  Ag0  1  0.0  0.23  0.41  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.23  0.0  0.41  1.0

data_TlAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.76
_cell_angle_alpha   112.76
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Bi
_chemical_formula_sum   'Tl1 Ag2 Bi1'
_cell_volume   95.57
_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
  Tl  Tl0  1  0.18  0.0  0.18  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.82  0.23  0.82  1.0
  Bi  Bi3  1  0.59  0.0  0.82  1.0

Tl Ag Ag Bi