data_TiAgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   148.13
_cell_angle_beta   139.67
_cell_angle_gamma   52.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgBi
_chemical_formula_sum   'Ti1 Ag1 Bi1'
_cell_volume   63.67
_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
  Ti  Ti2  1  0.0  0.0  0.54  1.0
  Ag  Ag0  1  0.0  0.0  0.12  1.0
  Bi  Bi1  1  0.0  0.0  0.89  1.0

data_TiAgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.94
_cell_length_c   5.72
_cell_angle_alpha   110.16
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgBi
_chemical_formula_sum   'Ti1 Ag1 Bi1'
_cell_volume   63.67
_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
  Ti  Ti0  1  0.0  0.54  0.54  1.0
  Ag  Ag1  1  0.0  0.12  0.12  1.0
  Bi  Bi2  1  0.0  0.89  0.89  1.0

Ti Ag Bi
Ti Ag Bi 0 1 o o o 0 2 o o o 1 2 o o - 