data_[Pr8Sn2Te2]
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 [7.9946]
_cell_length_b [5.7336]
_cell_length_c [8.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4SnTe]
_chemical_formula_sum '[Pr8 Sn2 Te2]'
_cell_volume [401.2048]
_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  0.1365  0.5000  0.8598  1
  Pr  Pr1  4  0.1528  0.0000  0.6466  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
]