data_[Li4Ac8Pa4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5556]
_cell_length_b [19.3112]
_cell_length_c [13.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiAc2PaTe5]
_chemical_formula_sum '[Li4 Ac8 Pa4 Te20]'
_cell_volume [1194.9730]
_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  0.4417  0.4559  1
  Ac  Ac1  4  0.0000  0.1093  0.6895  1
  Ac  Ac2  4  0.0000  0.1276  0.3062  1
  Pa  Pa3  4  0.0000  0.1986  0.0112  1
  Te  Te4  4  0.0000  0.0481  0.0610  1
  Te  Te5  4  0.0000  0.2874  0.6673  1
  Te  Te6  4  0.0000  0.3107  0.3521  1
  Te  Te7  4  0.0000  0.3607  0.0025  1
  Te  Te8  4  0.0000  0.4971  0.7782  1
]