data_[Pr2Sn4Te6]
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 [P2_1/m]
_cell_length_a [9.1659]
_cell_length_b [4.3529]
_cell_length_c [12.5313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrSn2Te3]
_chemical_formula_sum '[Pr2 Sn4 Te6]'
_cell_volume [471.4929]
_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  2  0.3002  0.7500  0.8185  1
  Sn  Sn1  2  0.0023  0.7500  0.0916  1
  Sn  Sn2  2  0.2578  0.2500  0.5162  1
  Te  Te3  2  0.0600  0.2500  0.6716  1
  Te  Te4  2  0.3306  0.2500  0.0114  1
  Te  Te5  2  0.4704  0.7500  0.6396  1
]