data_ZnRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.63
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRu3
_chemical_formula_sum   'Zn1 Ru3'
_cell_volume   55.99
_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  0.0  1.0
  Ru  Ru0  1  0.61  0.0  0.42  1.0
  Ru  Ru1  1  0.61  0.0  0.14  1.0
  Ru  Ru2  1  0.11  0.0  0.28  1.0

data_ZnRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.63
_cell_length_c   4.7
_cell_angle_alpha   99.15
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRu3
_chemical_formula_sum   'Zn1 Ru3'
_cell_volume   55.99
_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  0.0  1.0
  Ru  Ru1  1  0.0  0.14  0.61  1.0
  Ru  Ru2  1  0.0  0.28  0.11  1.0
  Ru  Ru3  1  0.0  0.42  0.61  1.0

Zn Ru Ru Ru