data_[Li4Pa4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6723]
_cell_length_b [4.9374]
_cell_length_c [11.3587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPaTe3]
_chemical_formula_sum '[Li4 Pa4 Te12]'
_cell_volume [805.4966]
_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  0.1741  0.0000  0.8488  1
  Pa  Pa1  4  0.0606  0.5000  0.2007  1
  Te  Te2  4  0.0083  0.0000  0.3160  1
  Te  Te3  4  0.1319  0.5000  0.9696  1
  Te  Te4  4  0.2383  0.5000  0.3468  1
]