data_[U2Ru2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0580]
_cell_length_b [4.8533]
_cell_length_c [10.7774]
_cell_angle_alpha [91.4091]
_cell_angle_beta [99.4467]
_cell_angle_gamma [114.6715]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [URuI]
_chemical_formula_sum '[U2 Ru2 I2]'
_cell_volume [189.2375]
_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  2  0.3099  0.2043  0.4027  1
  Ru  Ru1  2  0.0449  0.6810  0.3952  1
  I  I2  2  0.2353  0.6807  0.8329  1
]