data_NaSr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   152.54
_cell_angle_beta   138.96
_cell_angle_gamma   50.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ru
_chemical_formula_sum   'Na1 Sr2 Ru1'
_cell_volume   134.3
_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  0.99  1.0
  Sr  Sr2  1  0.0  0.0  0.8  1.0
  Sr  Sr3  1  0.81  0.0  0.34  1.0
  Ru  Ru1  1  0.0  0.68  0.55  1.0

data_NaSr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.35
_cell_length_c   7.64
_cell_angle_alpha   110.52
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ru
_chemical_formula_sum   'Na1 Sr2 Ru1'
_cell_volume   134.3
_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  0.99  0.99  1.0
  Sr  Sr1  1  0.0  0.34  0.52  1.0
  Sr  Sr2  1  0.0  0.8  0.8  1.0
  Ru  Ru3  1  0.32  0.87  0.87  1.0

Na Sr Sr Ru