data_GeMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   148.4
_cell_angle_beta   148.4
_cell_angle_gamma   45.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoRu
_chemical_formula_sum   'Ge1 Mo1 Ru1'
_cell_volume   43.74
_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  0.0  0.08  1.0
  Mo  Mo1  1  0.0  0.0  0.35  1.0
  Ru  Ru2  1  0.0  0.0  0.58  1.0

data_GeMoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeMoRu
_chemical_formula_sum   'Ge2 Mo2 Ru2'
_cell_volume   87.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.92  1.0
  Mo  Mo1  2  0.0  0.0  0.65  1.0
  Ru  Ru2  2  0.0  0.0  0.42  1.0

Ge Mo Ru
Ge Mo Ru 0 1 o o o 1 2 o o o 