data_ZnSi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.01
_cell_angle_alpha   105.4
_cell_angle_beta   105.4
_cell_angle_gamma   116.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Rh
_chemical_formula_sum   'Zn1 Si2 Rh1'
_cell_volume   57.83
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.31  0.87  0.0  1.0
  Si  Si2  1  0.31  0.13  0.0  1.0
  Rh  Rh0  1  0.62  0.0  0.0  1.0

data_ZnSi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.52
_cell_length_c   5.0
_cell_angle_alpha   115.37
_cell_angle_beta   105.4
_cell_angle_gamma   94.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Rh
_chemical_formula_sum   'Zn1 Si2 Rh1'
_cell_volume   57.83
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.13  0.13  0.44  1.0
  Si  Si2  1  0.87  0.87  0.18  1.0
  Rh  Rh3  1  0.0  0.0  0.62  1.0

Zn Si Si Rh
Zn Si Si Rh 0 2 o o o 1 2 o + o 1 3 o + o 