data_[Y1Tl1Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4560]
_cell_length_b [3.4560]
_cell_length_c [7.2831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [YTlZn2]
_chemical_formula_sum '[Y1 Tl1 Zn2]'
_cell_volume [86.9906]
_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
[
  Y  Y0  1  0.5000  0.5000  0.7785  1
  Tl  Tl1  1  0.0000  0.0000  0.4662  1
  Zn  Zn2  1  0.0000  0.0000  0.0453  1
  Zn  Zn3  1  0.5000  0.5000  0.2101  1
]