data_Sr2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   136.18
_cell_angle_beta   136.18
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiRu
_chemical_formula_sum   'Sr2 Ni1 Ru1'
_cell_volume   94.94
_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
  Sr  Sr2  1  0.0  0.0  0.97  1.0
  Sr  Sr3  1  0.0  0.18  0.49  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.18  0.0  0.49  1.0

data_Sr2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.85
_cell_angle_alpha   111.91
_cell_angle_beta   111.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiRu
_chemical_formula_sum   'Sr2 Ni1 Ru1'
_cell_volume   94.94
_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
  Sr  Sr0  1  0.3  0.49  0.3  1.0
  Sr  Sr1  1  0.97  0.97  0.97  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.49  0.3  0.3  1.0

Sr Sr Ni Ru