data_[Ba8Sn2Te10]
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 [I4]
_cell_length_a [11.0297]
_cell_length_b [11.0297]
_cell_length_c [7.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ba4SnTe5]
_chemical_formula_sum '[Ba8 Sn2 Te10]'
_cell_volume [857.4775]
_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
[
  Ba  Ba0  8  0.0985  0.7001  0.4986  1.0
  Sn  Sn1  2  0.0000  0.0000  0.9655  1.0
  Te  Te2  8  0.0964  0.7112  0.9972  1.0
  Te  Te3  2  0.0000  0.0000  0.5409  1.0
]