data_TiTlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   142.96
_cell_angle_beta   141.72
_cell_angle_gamma   54.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlRh
_chemical_formula_sum   'Ti1 Tl1 Rh1'
_cell_volume   53.76
_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  Ti1  1  0.0  0.0  0.06  1.0
  Tl  Tl2  1  0.0  0.0  0.13  1.0
  Rh  Rh0  1  0.0  0.0  0.17  1.0

data_TiTlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.45
_cell_length_c   5.25
_cell_angle_alpha   109.14
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlRh
_chemical_formula_sum   'Ti1 Tl1 Rh1'
_cell_volume   53.76
_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  0.06  0.06  1.0
  Tl  Tl1  1  0.0  0.13  0.13  1.0
  Rh  Rh2  1  0.0  0.17  0.17  1.0

Ti Tl Rh
Ti Tl Rh 0 1 o o o 1 2 o o o 