data_[Sr8Tl4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0259]
_cell_length_b [4.9139]
_cell_length_c [12.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2TlBi2]
_chemical_formula_sum '[Sr8 Tl4 Bi8]'
_cell_volume [721.9245]
_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
[
  Sr  Sr0  4  0.0073  0.0000  0.6732  1.0
  Sr  Sr1  4  0.1698  0.0000  0.0971  1.0
  Tl  Tl2  4  0.2084  0.5000  0.3174  1.0
  Bi  Bi3  4  0.0560  0.5000  0.8919  1.0
  Bi  Bi4  4  0.1339  0.5000  0.5499  1.0
]