data_[U12As10Se2]
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 [C2/m]
_cell_length_a [7.3387]
_cell_length_b [11.9946]
_cell_length_c [6.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U6As5Se]
_chemical_formula_sum '[U12 As10 Se2]'
_cell_volume [579.0432]
_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  8  0.2488  0.3327  0.7487  1
  U  U1  4  0.2484  0.5000  0.2503  1
  As  As2  4  0.0000  0.1659  0.5000  1
  As  As3  4  0.0000  0.3329  0.0000  1
  As  As4  2  0.0000  0.5000  0.5000  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]