data_TlAg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   128.68
_cell_angle_beta   128.68
_cell_angle_gamma   75.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Rh
_chemical_formula_sum   'Tl1 Ag2 Rh1'
_cell_volume   72.4
_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  0.15  0.0  0.96  1.0
  Ag  Ag0  1  0.0  0.0  0.92  1.0
  Ag  Ag1  1  0.0  0.15  0.96  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlAg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.96
_cell_angle_alpha   115.66
_cell_angle_beta   115.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Rh
_chemical_formula_sum   'Tl1 Ag2 Rh1'
_cell_volume   72.4
_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  0.04  0.0  0.19  1.0
  Ag  Ag1  1  0.08  0.0  0.08  1.0
  Ag  Ag2  1  0.19  0.15  0.19  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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