data_[Zr4U2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1174]
_cell_length_b [3.3874]
_cell_length_c [7.9204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2URu4]
_chemical_formula_sum '[Zr4 U2 Ru8]'
_cell_volume [258.3662]
_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
[
  Zr  Zr0  4  0.2440  0.5000  0.3167  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.0461  0.0000  0.3569  1
  Ru  Ru3  4  0.1432  0.5000  0.8969  1
]