data_[Ba14Tl4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9641]
_cell_length_b [13.0864]
_cell_length_c [9.0207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba7(TlIn)2]
_chemical_formula_sum '[Ba14 Tl4 In4]'
_cell_volume [1058.1971]
_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  0.2500  0.2500  0.2883  1
  Ba  Ba1  4  0.0000  0.5000  0.2669  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.2922  0.0000  1
  In  In4  4  0.1602  0.0000  0.5000  1
]