data_[Pr16Sn4Te2]
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 [C2/m]
_cell_length_a [19.1952]
_cell_length_b [4.8556]
_cell_length_c [8.0616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Sn2Te]
_chemical_formula_sum '[Pr16 Sn4 Te2]'
_cell_volume [750.2343]
_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  0.0002  0.0000  0.2512  1.0
  Pr  Pr1  4  0.1004  0.5000  0.5194  1.0
  Pr  Pr2  4  0.1639  0.5000  0.0366  1.0
  Pr  Pr3  4  0.2160  0.0000  0.3587  1.0
  Sn  Sn4  4  0.1751  0.0000  0.7690  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]