data_[U18Co3Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3873]
_cell_length_b [12.3873]
_cell_length_c [11.1600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [U6CoSe12]
_chemical_formula_sum '[U18 Co3 Se36]'
_cell_volume [1483.0281]
_cell_formula_units_Z [3]
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  18  0.0540  0.6091  0.3167  1
  Co  Co1  3  0.0000  0.0000  0.0000  1
  Se  Se2  18  0.0361  0.8210  0.3916  1
  Se  Se3  18  0.0507  0.8577  0.8886  1
]