data_ZrSiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiRh2
_chemical_formula_sum   'Zr1 Si1 Rh2'
_cell_volume   62.74
_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  0.08  0.0  0.77  1.0
  Si  Si2  1  0.0  0.0  0.79  1.0
  Rh  Rh0  1  0.0  0.0  0.92  1.0
  Rh  Rh1  1  0.08  0.0  0.96  1.0

data_ZrSiRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrSiRh2
_chemical_formula_sum   'Zr1 Si1 Rh2'
_cell_volume   62.78
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.08  0.0  0.77  1.0
  Si  Si1  1  0.0  0.0  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.92  1.0
  Rh  Rh3  1  0.08  0.0  0.96  1.0

Zr Si Rh Rh
Zr Si Rh Rh 0 1 o o o 2 3 o o o 