data_[Cs10Pa2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3564]
_cell_length_b [15.9537]
_cell_length_c [9.0983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5PaTe6]
_chemical_formula_sum '[Cs10 Pa2 Te12]'
_cell_volume [1270.9174]
_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
[
  Cs  Cs0  4  0.0000  0.1791  0.5000  1
  Cs  Cs1  4  0.0000  0.3356  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2009  0.1339  0.2052  1
  Te  Te5  4  0.1885  0.0000  0.7931  1
]