data_Zr2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.04
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   95.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlRh
_chemical_formula_sum   'Zr2 Tl1 Rh1'
_cell_volume   81.34
_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  Zr2  1  0.33  0.02  0.86  1.0
  Zr  Zr3  1  0.3  0.02  0.43  1.0
  Tl  Tl1  1  0.71  0.0  0.14  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Zr2TlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.04
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   95.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlRh
_chemical_formula_sum   'Zr2 Tl1 Rh1'
_cell_volume   81.34
_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  0.3  0.02  0.43  1.0
  Zr  Zr1  1  0.33  0.02  0.86  1.0
  Tl  Tl2  1  0.71  0.0  0.14  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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