data_[Pr8Sb2Te2]
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 [C2/m]
_cell_length_a [7.9125]
_cell_length_b [5.7989]
_cell_length_c [8.7148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4SbTe]
_chemical_formula_sum '[Pr8 Sb2 Te2]'
_cell_volume [399.8524]
_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
[
  Pr  Pr0  4  0.1433  0.5000  0.1438  1
  Pr  Pr1  4  0.1461  0.0000  0.3563  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
]