data_GeB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.1
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Rh
_chemical_formula_sum   'Ge1 B2 Rh1'
_cell_volume   48.05
_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
  Ge  Ge2  1  0.71  0.0  0.41  1.0
  B  B0  1  0.32  0.0  0.11  1.0
  B  B1  1  0.35  0.55  0.5  1.0
  Rh  Rh3  1  0.0  0.55  0.25  1.0

data_GeB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.44
_cell_length_c   4.51
_cell_angle_alpha   91.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Rh
_chemical_formula_sum   'Ge1 B2 Rh1'
_cell_volume   48.05
_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
  Ge  Ge0  1  0.0  0.29  0.59  1.0
  B  B1  1  0.0  0.68  0.89  1.0
  B  B2  1  0.45  0.65  0.5  1.0
  Rh  Rh3  1  0.45  1.0  0.75  1.0

Ge B B Rh
Ge B B Rh 0 2 o - o 0 2 o o o 0 1 o o o 0 3 + - o 0 3 + o o 1 3 o - o 1 3 o o o 1 2 o - o 2 3 o o o 