data_[Zr12Tl2Zn10]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4166]
_cell_length_b [7.9086]
_cell_length_c [13.3173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr6TlZn5]
_chemical_formula_sum '[Zr12 Tl2 Zn10]'
_cell_volume [465.1622]
_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  8  0.0000  0.2574  0.1684  1
  Zr  Zr1  4  0.0000  0.2343  0.5000  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.0000  0.0000  0.3276  1
  Zn  Zn4  4  0.0000  0.5000  0.3328  1
  Zn  Zn5  2  0.0000  0.5000  0.0000  1
]