data_Zn2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.06
_cell_angle_alpha   93.67
_cell_angle_beta   93.67
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PRu
_chemical_formula_sum   'Zn2 P1 Ru1'
_cell_volume   56.97
_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  0.06  0.0  0.01  1.0
  Zn  Zn3  1  0.55  0.0  0.05  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.8  0.0  0.03  1.0

data_Zn2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.06
_cell_length_c   5.14
_cell_angle_alpha   93.67
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PRu
_chemical_formula_sum   'Zn2 P1 Ru1'
_cell_volume   56.97
_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  0.01  0.06  1.0
  Zn  Zn1  1  0.0  0.05  0.55  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.03  0.8  1.0

Zn Zn P Ru