data_SrFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   149.64
_cell_angle_beta   149.64
_cell_angle_gamma   43.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeRu
_chemical_formula_sum   'Sr1 Fe1 Ru1'
_cell_volume   59.03
_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  0.6  1.0
  Fe  Fe0  1  0.0  0.0  0.86  1.0
  Ru  Ru1  1  0.0  0.0  0.36  1.0

data_SrFeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrFeRu
_chemical_formula_sum   'Sr2 Fe2 Ru2'
_cell_volume   118.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Fe  Fe1  2  0.0  0.0  0.14  1.0
  Ru  Ru2  2  0.0  0.0  0.64  1.0

Sr Fe Ru
Sr Fe Ru 0 2 o o o 0 1 o o o 