data_[Tm12Al8Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3418]
_cell_length_b [10.6726]
_cell_length_c [14.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Al2Zn3]
_chemical_formula_sum '[Tm12 Al8 Zn12]'
_cell_volume [662.1281]
_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  8  0.0000  0.0817  0.6125  1
  Tm  Tm1  4  0.0000  0.3658  0.7500  1
  Al  Al2  8  0.0000  0.2097  0.0953  1
  Zn  Zn3  8  0.0000  0.3911  0.5377  1
  Zn  Zn4  4  0.0000  0.3453  0.2500  1
]