data_[Hf10Zr2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2776]
_cell_length_b [12.6163]
_cell_length_c [4.4601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf5ZrTl2]
_chemical_formula_sum '[Hf10 Zr2 Tl4]'
_cell_volume [353.2442]
_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
[
  Hf  Hf0  4  0.0011  0.2490  0.0000  1.0
  Hf  Hf1  4  0.2480  0.8741  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl4  4  0.2493  0.6249  0.5000  1.0
]