data_[Sr2Al2Tl4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8489]
_cell_length_b [10.3225]
_cell_length_c [7.9381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrAl(TlBi)2]
_chemical_formula_sum '[Sr2 Al2 Tl4 Bi4]'
_cell_volume [397.3280]
_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
[
  Sr  Sr0  2  0.0000  0.4254  0.0122  1.0
  Al  Al1  2  0.5000  0.3404  0.6757  1.0
  Tl  Tl2  2  0.0000  0.1493  0.3064  1.0
  Tl  Tl3  2  0.5000  0.0466  0.0204  1.0
  Bi  Bi4  2  0.0000  0.1829  0.7190  1.0
  Bi  Bi5  2  0.5000  0.3974  0.3120  1.0
]