data_[Li4Pa4Te4]
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 [Cm]
_cell_length_a [9.9856]
_cell_length_b [3.9797]
_cell_length_c [7.5920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiPaTe]
_chemical_formula_sum '[Li4 Pa4 Te4]'
_cell_volume [298.4399]
_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  2  0.0579  0.5000  0.0978  1
  Li  Li1  2  0.3147  0.5000  0.8146  1
  Pa  Pa2  2  0.1669  0.0000  0.4531  1
  Pa  Pa3  2  0.3910  0.5000  0.3645  1
  Te  Te4  2  0.2585  0.0000  0.0677  1
  Te  Te5  2  0.4926  0.0000  0.6781  1
]