data_[Cs8Pa4Sn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8151]
_cell_length_b [22.1534]
_cell_length_c [15.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2PaSnTe5]
_chemical_formula_sum '[Cs8 Pa4 Sn4 Te20]'
_cell_volume [1691.3911]
_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
[
  Cs  Cs0  4  0.0000  0.1251  0.6879  1
  Cs  Cs1  4  0.0000  0.1262  0.3235  1
  Pa  Pa2  4  0.0000  0.2012  0.0253  1
  Sn  Sn3  4  0.0000  0.4401  0.4301  1
  Te  Te4  4  0.0000  0.0607  0.0363  1
  Te  Te5  4  0.0000  0.3034  0.6432  1
  Te  Te6  4  0.0000  0.3097  0.3959  1
  Te  Te7  4  0.0000  0.3291  0.0057  1
  Te  Te8  4  0.0000  0.4958  0.2761  1
]