data_[Pa12Zn4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.1038]
_cell_length_b [14.2860]
_cell_length_c [7.2104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa3ZnTe6]
_chemical_formula_sum '[Pa12 Zn4 Te24]'
_cell_volume [1246.7902]
_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
[
  Pa  Pa0  8  0.1623  0.1021  0.4933  1
  Pa  Pa1  4  0.0000  0.4134  0.3774  1
  Zn  Zn2  4  0.0000  0.3656  0.9678  1
  Te  Te3  8  0.1758  0.2753  0.2212  1
  Te  Te4  8  0.1760  0.4559  0.6807  1
  Te  Te5  4  0.0000  0.0429  0.1751  1
  Te  Te6  4  0.0000  0.2395  0.6745  1
]