data_GeB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.07
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Ru
_chemical_formula_sum   'Ge1 B2 Ru1'
_cell_volume   46.08
_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  0.63  0.0  0.46  1.0
  B  B0  1  0.21  0.0  0.19  1.0
  B  B1  1  0.96  0.53  0.51  1.0
  Ru  Ru3  1  0.99  0.53  0.23  1.0

data_GeB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.3
_cell_length_c   4.56
_cell_angle_alpha   90.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Ru
_chemical_formula_sum   'Ge1 B2 Ru1'
_cell_volume   46.08
_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  0.37  0.54  1.0
  B  B1  1  0.0  0.79  0.81  1.0
  B  B2  1  0.47  0.04  0.49  1.0
  Ru  Ru3  1  0.47  0.01  0.77  1.0

Ge B B Ru