data_Tl2CoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   150.9
_cell_angle_beta   136.38
_cell_angle_gamma   53.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoRh
_chemical_formula_sum   'Tl2 Co1 Rh1'
_cell_volume   75.47
_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  0.0  0.0  0.08  1.0
  Tl  Tl3  1  0.0  0.26  0.44  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0
  Rh  Rh1  1  0.53  0.0  0.15  1.0

data_Tl2CoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.53
_cell_length_c   6.09
_cell_angle_alpha   111.81
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoRh
_chemical_formula_sum   'Tl2 Co1 Rh1'
_cell_volume   75.47
_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  0.56  0.82  0.82  1.0
  Tl  Tl1  1  0.92  0.92  0.92  1.0
  Co  Co2  1  0.78  0.78  0.78  1.0
  Rh  Rh3  1  0.38  0.85  0.38  1.0

Tl Tl Co Rh
Tl Tl Co Rh 0 2 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 - o o 2 3 - o o 3 3 o + + 