data_ZnAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   135.65
_cell_angle_beta   135.65
_cell_angle_gamma   64.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAsRu2
_chemical_formula_sum   'Zn1 As1 Ru2'
_cell_volume   57.64
_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
  As  As0  1  0.86  0.0  0.08  1.0
  Ru  Ru1  1  0.0  0.0  0.17  1.0
  Ru  Ru2  1  0.0  0.86  0.08  1.0

data_ZnAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.93
_cell_angle_alpha   112.18
_cell_angle_beta   112.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAsRu2
_chemical_formula_sum   'Zn1 As1 Ru2'
_cell_volume   57.64
_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
  As  As1  1  0.08  0.22  0.22  1.0
  Ru  Ru2  1  0.17  0.17  0.17  1.0
  Ru  Ru3  1  0.22  0.08  0.22  1.0

Zn As Ru Ru
Zn As Ru Ru 0 2 o o o 1 2 + o o 2 3 o - o 