data_[Ba8Sn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4298]
_cell_length_b [6.9981]
_cell_length_c [9.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2SnTe3]
_chemical_formula_sum '[Ba8 Sn4 Te12]'
_cell_volume [998.6130]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  8  0.1691  0.4989  0.0845  1.0
  Sn  Sn1  4  0.0000  0.0291  0.2500  1.0
  Te  Te2  8  0.1549  0.0007  0.5775  1.0
  Te  Te3  4  0.0000  0.4596  0.2500  1.0
]