data_[Tm3Al3Zn51]
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 [R3m]
_cell_length_a [8.8678]
_cell_length_b [8.8678]
_cell_length_c [13.4263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmAlZn17]
_chemical_formula_sum '[Tm3 Al3 Zn51]'
_cell_volume [914.3660]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3388  1
  Al  Al1  3  0.0000  0.0000  0.5913  1
  Zn  Zn2  18  0.0214  0.3387  0.6715  1
  Zn  Zn3  9  0.0020  0.5010  0.1583  1
  Zn  Zn4  9  0.1681  0.3361  0.1740  1
  Zn  Zn5  9  0.1703  0.3407  0.8466  1
  Zn  Zn6  3  0.0000  0.0000  0.0997  1
  Zn  Zn7  3  0.0000  0.0000  0.9045  1
]