data_[Tm1Zn3Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9262]
_cell_length_b [4.9262]
_cell_length_c [7.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmZn3Cu8]
_chemical_formula_sum '[Tm1 Zn3 Cu8]'
_cell_volume [166.8937]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4361  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0416  1.0
  Zn  Zn2  1  0.6667  0.3333  0.5935  1.0
  Zn  Zn3  1  0.6667  0.3333  0.9412  1.0
  Cu  Cu4  3  0.1645  0.3290  0.7545  1.0
  Cu  Cu5  3  0.5039  0.0078  0.2417  1.0
  Cu  Cu6  1  0.3333  0.6667  0.0006  1.0
  Cu  Cu7  1  0.3333  0.6667  0.4982  1.0
]