data_[Pr24Ge12Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3318]
_cell_length_b [14.7128]
_cell_length_c [7.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6Ge3Te]
_chemical_formula_sum '[Pr24 Ge12 Te4]'
_cell_volume [1288.5277]
_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  0.1766  0.4624  0.6492  1
  Pr  Pr1  8  0.1857  0.2789  0.2422  1
  Pr  Pr2  4  0.0000  0.0071  0.2656  1
  Pr  Pr3  4  0.0000  0.2483  0.6188  1
  Ge  Ge4  8  0.1793  0.1075  0.4787  1
  Ge  Ge5  4  0.0000  0.4151  0.3620  1
  Te  Te6  4  0.0000  0.1727  0.9987  1
]