data_[Ba4Tl4Sn4As8]
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
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7929]
_cell_length_b [4.7887]
_cell_length_c [9.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTlSnAs2]
_chemical_formula_sum '[Ba4 Tl4 Sn4 As8]'
_cell_volume [652.7861]
_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  0.2431  0.0000  0.7516  1.0
  Tl  Tl1  4  0.0822  0.5000  0.4162  1.0
  Sn  Sn2  4  0.0718  0.0000  0.9165  1.0
  As  As3  4  0.1202  0.0000  0.2533  1.0
  As  As4  4  0.1218  0.5000  0.8260  1.0
]