data_[Li12Mg3Pa9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5163]
_cell_length_b [8.5163]
_cell_length_c [21.5733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4MgPa3Te8]
_chemical_formula_sum '[Li12 Mg3 Pa9 Te24]'
_cell_volume [1355.0236]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Li  Li1  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg2  3  -0.0000  -0.0000  0.0000  1
  Pa  Pa3  9  0.0000  0.5000  0.0000  1
  Te  Te4  18  0.0092  0.5046  0.7522  1
  Te  Te5  6  0.0000  0.0000  0.2448  1
]