data_[Al1Tl1Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2795]
_cell_length_b [4.1305]
_cell_length_c [6.2717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlTlZn2]
_chemical_formula_sum '[Al1 Tl1 Zn2]'
_cell_volume [82.4388]
_cell_formula_units_Z [1]
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
[
  Al  Al0  1  0.8797  0.0000  0.4029  1
  Tl  Tl1  1  0.5885  0.5000  0.7783  1
  Zn  Zn2  1  0.2045  0.0000  0.0244  1
  Zn  Zn3  1  0.3273  0.5000  0.2944  1
]