data_[Ba4In4Te8]
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 [P2_1/c]
_cell_length_a [8.6272]
_cell_length_b [9.8288]
_cell_length_c [8.7922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaInTe2]
_chemical_formula_sum '[Ba4 In4 Te8]'
_cell_volume [694.0355]
_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  0.2430  0.1256  0.9928  1.0
  In  In1  4  0.2908  0.6841  0.1373  1.0
  Te  Te2  4  0.0607  0.6893  0.3283  1.0
  Te  Te3  4  0.4604  0.0939  0.7230  1.0
]