data_Zr2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.22
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   49.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeRh
_chemical_formula_sum   'Zr2 Ge1 Rh1'
_cell_volume   79.67
_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  0.83  0.0  0.82  1.0
  Zr  Zr3  1  0.88  0.0  0.29  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.85  0.0  0.56  1.0

data_Zr2GeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.84
_cell_length_c   7.22
_cell_angle_alpha   99.1
_cell_angle_beta   90.0
_cell_angle_gamma   114.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeRh
_chemical_formula_sum   'Zr2 Ge1 Rh1'
_cell_volume   79.67
_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  0.12  0.71  1.0
  Zr  Zr1  1  0.0  0.17  0.18  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.15  0.44  1.0

Zr Zr Ge Rh
Zr Zr Ge Rh 0 2 + o + 0 3 o o o 1 3 o o o 1 2 + o o 