data_[Ba4Ac4U4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.7985]
_cell_length_b [9.1969]
_cell_length_c [13.1527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaAcUSe4]
_chemical_formula_sum '[Ba4 Ac4 U4 Se16]'
_cell_volume [1064.3042]
_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
[
  Ba  Ba0  4  0.0000  0.2500  0.6301  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  U  U2  4  0.2500  0.2500  0.2500  1
  Se  Se3  8  0.0000  0.0364  0.2369  1
  Se  Se4  8  0.2346  0.2500  0.0262  1
]