data_Zn2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   145.68
_cell_angle_beta   129.96
_cell_angle_gamma   62.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2NiRu
_chemical_formula_sum   'Zn2 Ni1 Ru1'
_cell_volume   52.39
_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  0.0  0.0  0.03  1.0
  Zn  Zn3  1  0.47  0.0  0.2  1.0
  Ni  Ni0  1  0.0  0.0  0.22  1.0
  Ru  Ru1  1  0.0  0.1  0.06  1.0

data_Zn2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.2
_cell_length_c   4.97
_cell_angle_alpha   115.02
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2NiRu
_chemical_formula_sum   'Zn2 Ni1 Ru1'
_cell_volume   52.39
_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  0.03  0.03  1.0
  Zn  Zn1  1  0.0  0.2  0.73  1.0
  Ni  Ni2  1  0.0  0.22  0.22  1.0
  Ru  Ru3  1  0.9  0.96  0.96  1.0

Zn Zn Ni Ru
Zn Zn Ni Ru 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 