data_[Pr12Sn4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.4475]
_cell_length_b [15.4560]
_cell_length_c [7.6688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3SnTe6]
_chemical_formula_sum '[Pr12 Sn4 Te24]'
_cell_volume [1475.3845]
_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  0.1830  0.0959  0.5154  1.0
  Pr  Pr1  4  0.0000  0.4071  0.6225  1.0
  Sn  Sn2  4  0.0000  0.2028  0.9806  1.0
  Te  Te3  8  0.1627  0.4623  0.3208  1.0
  Te  Te4  8  0.1781  0.2706  0.7772  1.0
  Te  Te5  4  0.0000  0.0299  0.8140  1.0
  Te  Te6  4  0.0000  0.2236  0.3706  1.0
]