data_NaZrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.29
_cell_angle_alpha   104.52
_cell_angle_beta   104.52
_cell_angle_gamma   38.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrRu2
_chemical_formula_sum   'Na1 Zr1 Ru2'
_cell_volume   71.24
_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
  Zr  Zr3  1  0.77  0.0  0.55  1.0
  Ru  Ru1  1  0.11  0.0  0.68  1.0
  Ru  Ru2  1  0.44  0.0  0.42  1.0

data_NaZrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.74
_cell_length_c   5.29
_cell_angle_alpha   104.52
_cell_angle_beta   90.0
_cell_angle_gamma   109.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrRu2
_chemical_formula_sum   'Na1 Zr1 Ru2'
_cell_volume   71.24
_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
  Zr  Zr1  1  0.0  0.23  0.45  1.0
  Ru  Ru2  1  0.0  0.56  0.58  1.0
  Ru  Ru3  1  0.0  0.89  0.32  1.0

Na Zr Ru Ru