data_[Pr8Sb1Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.3260]
_cell_length_b [11.3260]
_cell_length_c [4.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pr8SbTe6]
_chemical_formula_sum '[Pr8 Sb1 Te6]'
_cell_volume [506.2376]
_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
[
  Pr  Pr0  6  0.0318  0.7291  0.2590  1
  Pr  Pr1  2  0.3333  0.6667  0.7456  1
  Sb  Sb2  1  0.0000  0.0000  0.5000  1
  Te  Te3  6  0.1242  0.4791  0.2469  1
]