data_[Y5Tl4Zn1]
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 [P4/mmm]
_cell_length_a [3.6519]
_cell_length_b [3.6519]
_cell_length_c [19.8619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y5Tl4Zn]
_chemical_formula_sum '[Y5 Tl4 Zn1]'
_cell_volume [264.8884]
_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  2  0.5000  0.5000  0.0861  1
  Y  Y1  2  0.5000  0.5000  0.2920  1
  Y  Y2  1  0.5000  0.5000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.1877  1
  Tl  Tl4  2  0.0000  0.0000  0.3956  1
  Zn  Zn5  1  0.0000  0.0000  0.0000  1
]