data_[Ba10In8Te8S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4361]
_cell_length_b [39.8122]
_cell_length_c [7.4939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba5In4Te4S7]
_chemical_formula_sum '[Ba10 In8 Te8 S14]'
_cell_volume [1323.4909]
_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  4  0.0000  0.1135  0.9985  1.0
  Ba  Ba1  4  0.0000  0.1836  0.4973  1.0
  Ba  Ba2  2  0.0000  0.0000  0.8497  1.0
  In  In3  4  0.0000  0.3020  0.4720  1.0
  In  In4  4  0.0000  0.4464  0.8556  1.0
  Te  Te5  4  0.0000  0.0892  0.4947  1.0
  Te  Te6  4  0.0000  0.2403  0.8972  1.0
  S  S7  4  0.0000  0.3410  0.7265  1.0
  S  S8  4  0.0000  0.3479  0.2451  1.0
  S  S9  4  0.0000  0.4478  0.5231  1.0
  S  S10  2  0.0000  0.5000  0.0318  1.0
]