data_[Li4Zr4Pa2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  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 [7.0577]
_cell_length_b [12.1761]
_cell_length_c [7.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zr2PaTe6]
_chemical_formula_sum '[Li4 Zr4 Pa2 Te12]'
_cell_volume [626.6339]
_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  4  0.0000  0.1636  0.0000  1
  Zr  Zr1  4  0.0000  0.3332  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2436  0.3297  0.2459  1
  Te  Te4  4  0.2386  0.5000  0.7532  1
]