data_LaGeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.25
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   57.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeRu2
_chemical_formula_sum   'La1 Ge1 Ru2'
_cell_volume   81.37
_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
  La  La1  1  0.31  0.0  0.58  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.15  0.0  0.62  1.0
  Ru  Ru3  1  0.46  0.0  0.54  1.0

data_LaGeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.33
_cell_length_c   5.25
_cell_angle_alpha   99.51
_cell_angle_beta   90.0
_cell_angle_gamma   118.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeRu2
_chemical_formula_sum   'La1 Ge1 Ru2'
_cell_volume   81.37
_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
  La  La0  1  0.0  0.69  0.42  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.54  0.46  1.0
  Ru  Ru3  1  0.0  0.85  0.38  1.0

La Ge Ru Ru