data_[Pa8Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0425]
_cell_length_b [4.0425]
_cell_length_c [28.3753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Pa4TeSe3]
_chemical_formula_sum '[Pa8 Te2 Se6]'
_cell_volume [401.5828]
_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
[
  Pa  Pa0  4  0.0000  0.0000  0.1761  1
  Pa  Pa1  4  0.3333  0.6667  0.4407  1
  Te  Te2  2  0.3333  0.6667  0.2500  1
  Se  Se3  4  0.3333  0.6667  0.8821  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]