data_[U4Sn4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5636]
_cell_length_b [4.6510]
_cell_length_c [5.0395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2Sn2Ru3]
_chemical_formula_sum '[U4 Sn4 Ru6]'
_cell_volume [293.1087]
_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
[
  U  U0  4  0.1525  0.0000  0.3603  1
  Sn  Sn1  4  0.0906  0.5000  0.8172  1
  Ru  Ru2  4  0.2161  0.0000  0.8120  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]