data_[Ba2Tl4Sn2As4]
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 [Pmc2_1]
_cell_length_a [5.0091]
_cell_length_b [9.4384]
_cell_length_c [7.9681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTl2SnAs2]
_chemical_formula_sum '[Ba2 Tl4 Sn2 As4]'
_cell_volume [376.7198]
_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  2  0.0000  0.4131  0.0054  1.0
  Tl  Tl1  2  0.0000  0.1641  0.3387  1.0
  Tl  Tl2  2  0.5000  0.0604  0.0449  1.0
  Sn  Sn3  2  0.5000  0.3037  0.6458  1.0
  As  As4  2  0.0000  0.1665  0.7078  1.0
  As  As5  2  0.5000  0.4140  0.3031  1.0
]