data_NaSr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   133.71
_cell_angle_beta   133.71
_cell_angle_gamma   67.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ru
_chemical_formula_sum   'Na1 Sr2 Ru1'
_cell_volume   115.74
_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
  Sr  Sr2  1  0.0  0.0  0.06  1.0
  Sr  Sr3  1  0.0  0.39  0.53  1.0
  Ru  Ru1  1  0.39  0.0  0.53  1.0

data_NaSr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   6.09
_cell_angle_alpha   113.14
_cell_angle_beta   113.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ru
_chemical_formula_sum   'Na1 Sr2 Ru1'
_cell_volume   115.74
_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
  Sr  Sr1  1  0.86  0.39  0.86  1.0
  Sr  Sr2  1  0.94  0.0  0.94  1.0
  Ru  Ru3  1  0.47  0.0  0.86  1.0

Na Sr Sr Ru
Na Sr Sr Ru 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 