data_Zn2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PRu
_chemical_formula_sum   'Zn2 P1 Ru1'
_cell_volume   56.64
_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  Zn2  1  0.21  0.08  0.53  1.0
  Zn  Zn3  1  0.21  0.92  0.53  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.41  0.0  0.0  1.0

data_Zn2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   115.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PRu
_chemical_formula_sum   'Zn2 P1 Ru1'
_cell_volume   56.64
_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  0.53  0.21  0.08  1.0
  Zn  Zn1  1  0.53  0.21  0.92  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.41  0.0  1.0

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