data_ZrTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.13
_cell_angle_alpha   112.34
_cell_angle_beta   112.34
_cell_angle_gamma   35.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Rh
_chemical_formula_sum   'Zr1 Tl2 Rh1'
_cell_volume   83.42
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.54  0.0  0.27  1.0
  Tl  Tl2  1  0.92  0.0  0.44  1.0
  Rh  Rh0  1  0.23  0.0  0.35  1.0

data_ZrTl2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.13
_cell_length_c   5.52
_cell_angle_alpha   112.34
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Rh
_chemical_formula_sum   'Zr1 Tl2 Rh1'
_cell_volume   83.42
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.27  0.54  1.0
  Tl  Tl2  1  0.0  0.44  0.92  1.0
  Rh  Rh3  1  0.0  0.35  0.23  1.0

Zr Tl Tl Rh