data_Zr2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   141.64
_cell_angle_beta   139.0
_cell_angle_gamma   57.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeRh
_chemical_formula_sum   'Zr2 Ge1 Rh1'
_cell_volume   74.17
_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  0.0  0.0  0.91  1.0
  Zr  Zr3  1  0.0  0.99  0.49  1.0
  Ge  Ge0  1  0.0  0.0  0.17  1.0
  Rh  Rh1  1  0.87  0.0  0.4  1.0

data_Zr2GeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.98
_cell_length_c   5.68
_cell_angle_alpha   110.5
_cell_angle_beta   109.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeRh
_chemical_formula_sum   'Zr2 Ge1 Rh1'
_cell_volume   74.17
_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  0.91  0.91  1.0
  Zr  Zr1  1  0.01  0.5  0.5  1.0
  Ge  Ge2  1  0.0  0.17  0.17  1.0
  Rh  Rh3  1  0.0  0.4  0.53  1.0

Zr Zr Ge Rh