data_[Zr8Tl4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7284]
_cell_length_b [6.0122]
_cell_length_c [10.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr4Tl2Bi]
_chemical_formula_sum '[Zr8 Tl4 Bi2]'
_cell_volume [344.9418]
_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
[
  Zr  Zr0  4  0.4124  0.5006  0.7284  1
  Zr  Zr1  2  0.0356  0.2500  0.2069  1
  Zr  Zr2  2  0.1291  0.7500  0.4527  1
  Tl  Tl3  2  0.3342  0.2500  0.4659  1
  Tl  Tl4  2  0.4934  0.2500  0.0097  1
  Bi  Bi5  2  0.0451  0.7500  0.1494  1
]