data_ZnSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Ru
_chemical_formula_sum   'Zn1 Sb2 Ru1'
_cell_volume   77.53
_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
  Sb  Sb1  1  0.49  0.06  0.67  1.0
  Sb  Sb2  1  0.49  0.94  0.67  1.0
  Ru  Ru0  1  0.98  0.0  0.0  1.0

data_ZnSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   104.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Ru
_chemical_formula_sum   'Zn1 Sb2 Ru1'
_cell_volume   77.53
_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
  Sb  Sb1  1  0.67  0.49  0.94  1.0
  Sb  Sb2  1  0.67  0.49  0.06  1.0
  Ru  Ru3  1  -0.0  0.98  0.0  1.0

Zn Sb Sb Ru
Zn Sb Sb Ru 0 3 - o o 1 2 o - o 