data_[Pr12Sb4Te24]
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 [Cmc2_1]
_cell_length_a [12.2938]
_cell_length_b [15.4238]
_cell_length_c [7.7202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3SbTe6]
_chemical_formula_sum '[Pr12 Sb4 Te24]'
_cell_volume [1463.8834]
_cell_formula_units_Z [4]
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  8  0.1810  0.0985  0.4902  1.0
  Pr  Pr1  4  0.0000  0.4069  0.3707  1.0
  Sb  Sb2  4  0.0000  0.1762  0.0011  1.0
  Te  Te3  8  0.1656  0.4625  0.6773  1.0
  Te  Te4  8  0.1676  0.2630  0.2005  1.0
  Te  Te5  4  0.0000  0.0054  0.2447  1.0
  Te  Te6  4  0.0000  0.2353  0.6330  1.0
]