data_Ge2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.91
_cell_angle_alpha   99.42
_cell_angle_beta   99.42
_cell_angle_gamma   46.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuBr
_chemical_formula_sum   'Ge2 Ru1 Br1'
_cell_volume   87.76
_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  Ge1  1  0.6  0.0  0.1  1.0
  Ge  Ge2  1  0.97  0.0  0.79  1.0
  Ru  Ru3  1  0.23  0.0  0.87  1.0
  Br  Br0  1  0.4  0.0  0.24  1.0

data_Ge2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.2
_cell_length_c   6.91
_cell_angle_alpha   99.42
_cell_angle_beta   90.0
_cell_angle_gamma   113.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuBr
_chemical_formula_sum   'Ge2 Ru1 Br1'
_cell_volume   87.76
_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  0.03  0.21  1.0
  Ge  Ge1  1  0.0  0.4  0.9  1.0
  Ru  Ru2  1  0.0  0.77  0.13  1.0
  Br  Br3  1  0.0  0.6  0.76  1.0

Ge Ge Ru Br