data_Zn2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.33
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoRu
_chemical_formula_sum   'Zn2 Mo1 Ru1'
_cell_volume   58.42
_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
  Zn  Zn2  1  0.0  0.0  0.08  1.0
  Zn  Zn3  1  0.0  0.16  0.51  1.0
  Mo  Mo0  1  0.41  0.0  0.44  1.0
  Ru  Ru1  1  0.41  0.16  0.14  1.0

data_Zn2MoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.33
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoRu
_chemical_formula_sum   'Zn2 Mo1 Ru1'
_cell_volume   58.42
_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
  Zn  Zn0  1  0.0  0.0  0.08  1.0
  Zn  Zn1  1  0.0  0.16  0.51  1.0
  Mo  Mo2  1  0.41  0.0  0.44  1.0
  Ru  Ru3  1  0.41  0.16  0.14  1.0

Zn Zn Mo Ru
Zn Zn Mo Ru 0 3 o o o 1 2 o o o 2 3 o o o 