data_[Li4Tb8Pa4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [4.2875]
_cell_length_b [18.4420]
_cell_length_c [13.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2PaTe5]
_chemical_formula_sum '[Li4 Tb8 Pa4 Te20]'
_cell_volume [1057.1104]
_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  0.4453  0.4579  1
  Tb  Tb1  4  0.0000  0.1067  0.6870  1
  Tb  Tb2  4  0.0000  0.1302  0.2979  1
  Pa  Pa3  4  0.0000  0.2007  0.0098  1
  Te  Te4  4  0.0000  0.0473  0.0727  1
  Te  Te5  4  0.0000  0.2833  0.6738  1
  Te  Te6  4  0.0000  0.3143  0.3428  1
  Te  Te7  4  0.0000  0.3676  0.0017  1
  Te  Te8  4  0.0000  0.4955  0.7803  1
]