data_[Pr12Sn4Sb6Te2]
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
  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 [19.8742]
_cell_length_b [4.4912]
_cell_length_c [9.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Sn2Sb3Te]
_chemical_formula_sum '[Pr12 Sn4 Sb6 Te2]'
_cell_volume [801.6437]
_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  0.0006  0.0000  0.2552  1.0
  Pr  Pr1  4  0.1661  0.5000  0.5863  1.0
  Pr  Pr2  4  0.1676  0.5000  0.0817  1.0
  Sn  Sn3  4  0.1665  0.0000  0.3333  1.0
  Sb  Sb4  4  0.1649  0.0000  0.8334  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]