data_[U10Se10S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3436]
_cell_length_b [3.9071]
_cell_length_c [11.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U5Se5S2]
_chemical_formula_sum '[U10 Se10 S4]'
_cell_volume [591.4456]
_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  0.1224  0.0000  0.4266  1
  U  U1  4  0.1785  0.5000  0.7940  1
  U  U2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1655  0.5000  0.0496  1
  Se  Se4  4  0.2326  0.5000  0.3354  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.0312  0.0000  0.7875  1
]