data_[Th4Sn4Te14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5262]
_cell_length_b [17.3276]
_cell_length_c [10.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th2Sn2Te7]
_chemical_formula_sum '[Th4 Sn4 Te14]'
_cell_volume [814.8227]
_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
[
  Th  Th0  2  0.0000  0.0000  0.2020  1
  Th  Th1  2  0.0000  0.5000  0.1701  1
  Sn  Sn2  4  0.0000  0.3217  0.4362  1
  Te  Te3  4  0.0000  0.1222  0.7022  1
  Te  Te4  4  0.0000  0.1813  0.1314  1
  Te  Te5  4  0.0000  0.4182  0.8755  1
  Te  Te6  2  0.0000  0.5000  0.4835  1
]