data_Tl2AgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.6
_cell_angle_alpha   109.08
_cell_angle_beta   109.08
_cell_angle_gamma   26.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgRh
_chemical_formula_sum   'Tl2 Ag1 Rh1'
_cell_volume   88.61
_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  Tl2  1  0.55  0.0  0.23  1.0
  Tl  Tl3  1  0.25  0.0  0.27  1.0
  Ag  Ag0  1  0.1  0.0  0.95  1.0
  Rh  Rh1  1  0.4  0.0  0.05  1.0

data_Tl2AgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.6
_cell_length_c   6.72
_cell_angle_alpha   109.08
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgRh
_chemical_formula_sum   'Tl2 Ag1 Rh1'
_cell_volume   88.61
_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  0.0  0.23  0.55  1.0
  Tl  Tl1  1  0.0  0.27  0.25  1.0
  Ag  Ag2  1  0.0  0.95  0.1  1.0
  Rh  Rh3  1  0.0  0.05  0.4  1.0

Tl Tl Ag Rh
Tl Tl Ag Rh 0 3 o o o 1 2 o o - 1 3 o o o 