data_Sr3Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ru4
_chemical_formula_sum   'Sr3 Ru4'
_cell_volume   170.98
_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  Sr4  1  0.62  0.81  0.35  1.0
  Sr  Sr5  1  0.24  0.0  0.35  1.0
  Sr  Sr6  1  0.38  0.81  0.35  1.0
  Ru  Ru0  1  0.0  0.0  0.5  1.0
  Ru  Ru1  1  0.0  0.0  0.19  1.0
  Ru  Ru2  1  0.0  0.74  0.0  1.0
  Ru  Ru3  1  0.24  0.87  0.0  1.0

data_Sr3Ru4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ru4
_chemical_formula_sum   'Sr3 Ru4'
_cell_volume   170.98
_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  0.35  0.24  0.0  1.0
  Sr  Sr1  1  0.35  0.38  0.81  1.0
  Sr  Sr2  1  0.35  0.62  0.81  1.0
  Ru  Ru3  1  -0.0  0.0  0.74  1.0
  Ru  Ru4  1  0.0  0.24  0.87  1.0
  Ru  Ru5  1  0.19  0.0  0.0  1.0
  Ru  Ru6  1  0.5  0.0  0.0  1.0

Sr Sr Sr Ru Ru Ru Ru
Sr Sr Sr Ru Ru Ru Ru 0 2 o o o 1 4 o o o 1 3 o o o 1 6 o - o 1 2 o - o 3 4 o o o 5 6 o o o 