data_[Pr12Sn2Sb4Te6]
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 [19.8624]
_cell_length_b [4.5672]
_cell_length_c [9.1170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SnSb2Te3]
_chemical_formula_sum '[Pr12 Sn2 Sb4 Te6]'
_cell_volume [804.9135]
_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  0.0014  0.0000  0.2422  1.0
  Pr  Pr1  4  0.1633  0.5000  0.0866  1.0
  Pr  Pr2  4  0.1688  0.5000  0.5778  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1667  0.0000  0.3334  1.0
  Te  Te5  4  0.1674  0.0000  0.8327  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]