data_[Sr12Tl4Bi4]
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 [P2_1/c]
_cell_length_a [10.3669]
_cell_length_b [8.8749]
_cell_length_c [9.3246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3TlBi]
_chemical_formula_sum '[Sr12 Tl4 Bi4]'
_cell_volume [807.6417]
_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  0.0346  0.0085  0.7200  1.0
  Sr  Sr1  4  0.2735  0.1426  0.0993  1.0
  Sr  Sr2  4  0.3675  0.6918  0.9471  1.0
  Tl  Tl3  4  0.4083  0.0463  0.7979  1.0
  Bi  Bi4  4  0.0981  0.7035  0.5499  1.0
]