data_ZnMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.01
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMoRu2
_chemical_formula_sum   'Zn1 Mo1 Ru2'
_cell_volume   57.74
_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
  Zn  Zn3  1  0.0  0.0  0.55  1.0
  Mo  Mo0  1  0.38  0.01  0.9  1.0
  Ru  Ru1  1  0.0  0.0  0.17  1.0
  Ru  Ru2  1  0.38  0.01  0.41  1.0

data_ZnMoRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.76
_cell_length_b   4.01
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnMoRu2
_chemical_formula_sum   'Zn1 Mo1 Ru2'
_cell_volume   57.74
_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
  Zn  Zn0  1  0.0  0.0  0.55  1.0
  Mo  Mo1  1  0.38  0.0  0.9  1.0
  Ru  Ru2  1  0.0  0.0  0.17  1.0
  Ru  Ru3  1  0.38  0.0  0.41  1.0

Zn Mo Ru Ru