data_[Ba4In8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [7.2493]
_cell_length_b [12.3361]
_cell_length_c [12.4251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Ba(InTe2)2]
_chemical_formula_sum '[Ba4 In8 Te16]'
_cell_volume [1111.1493]
_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  4  0.0000  0.5000  0.2500  1.0
  In  In1  8  0.0013  0.2391  0.0000  1.0
  Te  Te2  8  0.2316  0.4272  0.5000  1.0
  Te  Te3  8  0.2500  0.2500  0.1775  1.0
]