data_SrCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.52
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuRu2
_chemical_formula_sum   'Sr1 Cu1 Ru2'
_cell_volume   74.09
_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  Sr3  1  0.93  0.0  0.81  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.17  0.26  0.03  1.0
  Ru  Ru2  1  0.69  0.26  0.6  1.0

data_SrCuRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.52
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuRu2
_chemical_formula_sum   'Sr1 Cu1 Ru2'
_cell_volume   74.09
_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  0.93  0.0  0.81  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.17  0.26  0.03  1.0
  Ru  Ru3  1  0.69  0.26  0.6  1.0

Sr Cu Ru Ru