data_[K4Zr4Pa2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.1806]
_cell_length_b [12.4834]
_cell_length_c [9.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zr2PaTe6]
_chemical_formula_sum '[K4 Zr4 Pa2 Te12]'
_cell_volume [780.6691]
_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
[
  K  K0  4  0.0000  0.1631  0.0000  1
  Zr  Zr1  4  0.0000  0.3315  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2408  0.1697  0.7072  1
  Te  Te4  4  0.2207  0.5000  0.7054  1
]