data_[Tm12Tl4Zn4]
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 [Cmcm]
_cell_length_a [5.0416]
_cell_length_b [20.2511]
_cell_length_c [5.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3TlZn]
_chemical_formula_sum '[Tm12 Tl4 Zn4]'
_cell_volume [514.7982]
_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  4  0.0000  0.0602  0.2500  1
  Tm  Tm1  4  0.0000  0.2496  0.2500  1
  Tm  Tm2  4  0.0000  0.4382  0.2500  1
  Tl  Tl3  4  0.0000  0.3423  0.7500  1
  Zn  Zn4  4  0.0000  0.1542  0.7500  1
]