data_[Tm4Tl4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6911]
_cell_length_b [7.1798]
_cell_length_c [8.1499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TmTlZn]
_chemical_formula_sum '[Tm4 Tl4 Zn4]'
_cell_volume [274.5009]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  2  0.0000  0.0000  0.3514  1.0
  Tm  Tm1  2  0.0000  0.5000  0.3543  1.0
  Tl  Tl2  4  0.0000  0.2332  0.6852  1.0
  Zn  Zn3  4  0.0000  0.1941  0.0221  1.0
]