data_[Pa3Sb2Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2675]
_cell_length_b [5.2675]
_cell_length_c [6.4500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pa3Sb2Te]
_chemical_formula_sum '[Pa3 Sb2 Te1]'
_cell_volume [154.9880]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3310  1
  Pa  Pa1  1  0.0000  0.0000  0.0000  1
  Sb  Sb2  2  0.3333  0.6667  0.8316  1
  Te  Te3  1  0.0000  0.0000  0.5000  1
]