data_ZrSn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.14
_cell_angle_alpha   100.07
_cell_angle_beta   100.07
_cell_angle_gamma   42.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Rh
_chemical_formula_sum   'Zr1 Sn2 Rh1'
_cell_volume   83.38
_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
  Sn  Sn1  1  0.22  0.0  0.3  1.0
  Sn  Sn2  1  0.1  0.0  0.73  1.0
  Rh  Rh0  1  0.66  0.0  0.02  1.0

data_ZrSn2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.54
_cell_length_c   6.14
_cell_angle_alpha   100.07
_cell_angle_beta   90.0
_cell_angle_gamma   111.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Rh
_chemical_formula_sum   'Zr1 Sn2 Rh1'
_cell_volume   83.38
_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
  Sn  Sn1  1  0.0  0.78  0.7  1.0
  Sn  Sn2  1  0.0  0.9  0.27  1.0
  Rh  Rh3  1  0.0  0.34  0.98  1.0

Zr Sn Sn Rh
Zr Sn Sn Rh 0 3 - o o 0 2 o o - 0 1 o o o 