data_YTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   22.53
_cell_angle_beta   22.53
_cell_angle_gamma   22.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Rh
_chemical_formula_sum   'Y1 Tl2 Rh1'
_cell_volume   97.19
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.29  1.0
  Tl  Tl2  1  0.0  0.0  0.32  1.0
  Rh  Rh0  1  0.0  0.0  0.3  1.0

data_YTl2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   3.56
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   103.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTl2Rh
_chemical_formula_sum   'Y2 Tl4 Rh2'
_cell_volume   194.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.68  1.0
  Tl  Tl2  2  0.0  0.0  0.71  1.0
  Rh  Rh3  2  0.0  0.0  0.7  1.0

Y Tl Tl Rh
Y Tl Tl Rh 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 