data_TlPt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.96
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Rh
_chemical_formula_sum   'Tl1 Pt2 Rh1'
_cell_volume   68.16
_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  0.94  1.0
  Pt  Pt0  1  0.46  0.98  0.52  1.0
  Pt  Pt1  1  0.46  0.98  0.35  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlPt2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.96
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Rh
_chemical_formula_sum   'Tl1 Pt2 Rh1'
_cell_volume   68.16
_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  0.0  0.94  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.46  0.98  0.35  1.0
  Pt  Pt3  1  0.46  0.98  0.52  1.0

Tl Pt Pt Rh
Tl Pt Pt Rh 0 3 o o + 1 2 o o o 