data_[U4As4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3724]
_cell_length_b [8.7020]
_cell_length_c [8.7701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [UAsSe3]
_chemical_formula_sum '[U4 As4 Se12]'
_cell_volume [526.0369]
_cell_formula_units_Z [4]
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  0.2249  0.1361  0.9021  1
  As  As1  4  0.0443  0.6931  0.9555  1
  Se  Se2  4  0.1267  0.0738  0.1951  1
  Se  Se3  4  0.2898  0.0797  0.6054  1
  Se  Se4  4  0.3784  0.6602  0.4738  1
]