data_[Li4Ac8Pa4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2827]
_cell_length_b [17.9131]
_cell_length_c [12.7895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiAc2PaSe5]
_chemical_formula_sum '[Li4 Ac8 Pa4 Se20]'
_cell_volume [981.1733]
_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
[
  Li  Li0  4  0.0000  0.4557  0.4583  1
  Ac  Ac1  4  0.0000  0.1095  0.6898  1
  Ac  Ac2  4  0.0000  0.1280  0.3071  1
  Pa  Pa3  4  0.0000  0.1992  0.0108  1
  Se  Se4  4  0.0000  0.0485  0.0576  1
  Se  Se5  4  0.0000  0.2887  0.6650  1
  Se  Se6  4  0.0000  0.3124  0.3562  1
  Se  Se7  4  0.0000  0.3607  0.0031  1
  Se  Se8  4  0.0000  0.4964  0.7761  1
]