data_[Tl10Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9118]
_cell_length_b [3.6026]
_cell_length_c [8.3845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl5Zn]
_chemical_formula_sum '[Tl10 Zn2]'
_cell_volume [344.6318]
_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
[
  Tl  Tl0  2  0.0184  0.0000  0.5854  1.0
  Tl  Tl1  2  0.0424  0.0000  0.0070  1.0
  Tl  Tl2  2  0.1834  0.5000  0.3646  1.0
  Tl  Tl3  2  0.3192  0.0000  0.7229  1.0
  Tl  Tl4  2  0.3790  0.0000  0.2173  1.0
  Zn  Zn5  2  0.2242  0.5000  0.9361  1.0
]