data_CoGe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.63
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Ru
_chemical_formula_sum   'Co1 Ge2 Ru1'
_cell_volume   55.58
_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
  Co  Co0  1  0.0  0.0  0.09  1.0
  Ge  Ge1  1  0.49  0.81  0.9  1.0
  Ge  Ge2  1  0.0  0.0  0.46  1.0
  Ru  Ru3  1  0.49  0.81  0.38  1.0

data_CoGe2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   2.99
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CoGe2Ru
_chemical_formula_sum   'Co1 Ge2 Ru1'
_cell_volume   55.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co0  1  0.0  0.0  0.09  1.0
  Ge  Ge1  1  0.0  0.0  0.46  1.0
  Ge  Ge2  1  0.81  0.5  0.9  1.0
  Ru  Ru3  1  0.81  0.5  0.38  1.0

Co Ge Ge Ru
Co Ge Ge Ru 0 1 - - - 0 1 o - - 0 3 - - o 0 3 o - o 0 2 o o o 2 3 - - o 2 3 o - o 