data_NaNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.92
_cell_angle_alpha   93.88
_cell_angle_beta   93.88
_cell_angle_gamma   34.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ru
_chemical_formula_sum   'Na1 Ni2 Ru1'
_cell_volume   62.4
_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
  Ni  Ni1  1  0.18  0.0  0.93  1.0
  Ni  Ni2  1  0.71  0.0  0.98  1.0
  Ru  Ru3  1  0.95  0.0  0.95  1.0

data_NaNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.35
_cell_length_c   5.92
_cell_angle_alpha   93.88
_cell_angle_beta   90.0
_cell_angle_gamma   107.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ru
_chemical_formula_sum   'Na1 Ni2 Ru1'
_cell_volume   62.4
_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
  Ni  Ni1  1  0.0  0.29  0.02  1.0
  Ni  Ni2  1  0.0  0.82  0.07  1.0
  Ru  Ru3  1  0.0  0.05  0.05  1.0

Na Ni Ni Ru