data_[Sr4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1032]
_cell_length_b [8.3606]
_cell_length_c [5.0038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2Ru3]
_chemical_formula_sum '[Sr4 Ru6]'
_cell_volume [233.6721]
_cell_formula_units_Z [2]
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  4  0.3177  0.5979  0.1583  1
  Ru  Ru1  4  0.1628  0.2401  0.8585  1
  Ru  Ru2  2  0.0000  0.0000  0.0000  1
]