data_NaZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.86
_cell_angle_alpha   94.6
_cell_angle_beta   94.6
_cell_angle_gamma   32.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Ru
_chemical_formula_sum   'Na1 Zn2 Ru1'
_cell_volume   67.45
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.61  0.0  0.75  1.0
  Zn  Zn3  1  0.8  0.0  0.09  1.0
  Ru  Ru1  1  0.21  0.0  0.92  1.0

data_NaZn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.64
_cell_length_c   5.86
_cell_angle_alpha   94.6
_cell_angle_beta   90.0
_cell_angle_gamma   106.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Ru
_chemical_formula_sum   'Na1 Zn2 Ru1'
_cell_volume   67.45
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.2  0.91  1.0
  Zn  Zn2  1  0.0  0.39  0.25  1.0
  Ru  Ru3  1  0.0  0.79  0.08  1.0

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