data_GePRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.61
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   94.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePRu2
_chemical_formula_sum   'Ge1 P1 Ru2'
_cell_volume   57.13
_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  0.9  0.31  0.14  1.0
  P  P1  1  0.61  0.0  0.89  1.0
  Ru  Ru2  1  0.56  0.31  0.02  1.0
  Ru  Ru3  1  0.75  0.0  0.28  1.0

data_GePRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.23
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePRu2
_chemical_formula_sum   'Ge1 P1 Ru2'
_cell_volume   57.13
_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  0.1  0.86  0.69  1.0
  P  P1  1  0.39  0.11  0.0  1.0
  Ru  Ru2  1  0.25  0.72  0.0  1.0
  Ru  Ru3  1  0.44  0.98  0.69  1.0

Ge P Ru Ru