data_[Li4Pa2Te6]
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 [P2_1/m]
_cell_length_a [7.4988]
_cell_length_b [4.3751]
_cell_length_c [10.9263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2PaTe3]
_chemical_formula_sum '[Li4 Pa2 Te6]'
_cell_volume [355.9761]
_cell_formula_units_Z [2]
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  2  0.3214  0.7500  0.9410  1
  Li  Li1  2  0.3974  0.2500  0.3181  1
  Pa  Pa2  2  0.1135  0.2500  0.6702  1
  Te  Te3  2  0.0357  0.2500  0.1763  1
  Te  Te4  2  0.2522  0.7500  0.4998  1
  Te  Te5  2  0.4726  0.2500  0.8241  1
]