data_Sb2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.74
_cell_angle_alpha   104.88
_cell_angle_beta   104.88
_cell_angle_gamma   37.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoRu
_chemical_formula_sum   'Sb2 Mo1 Ru1'
_cell_volume   72.85
_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
  Sb  Sb2  1  0.41  0.0  0.25  1.0
  Sb  Sb3  1  0.91  0.0  0.45  1.0
  Mo  Mo0  1  0.25  0.0  0.94  1.0
  Ru  Ru1  1  0.4  0.0  0.76  1.0

data_Sb2MoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.74
_cell_length_c   5.11
_cell_angle_alpha   104.88
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoRu
_chemical_formula_sum   'Sb2 Mo1 Ru1'
_cell_volume   72.85
_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
  Sb  Sb0  1  0.0  0.25  0.41  1.0
  Sb  Sb1  1  0.0  0.45  0.91  1.0
  Mo  Mo2  1  0.0  0.94  0.25  1.0
  Ru  Ru3  1  0.0  0.76  0.4  1.0

Sb Sb Mo Ru
Sb Sb Mo Ru 0 2 o o - 0 1 o o o 0 1 - o o 1 3 + o o 1 2 + o o 2 3 o o o 