data_[Tm1Ga3Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9301]
_cell_length_b [4.9301]
_cell_length_c [8.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmGa3Cu8]
_chemical_formula_sum '[Tm1 Ga3 Cu8]'
_cell_volume [172.1427]
_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  0.4322  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0546  1.0
  Ga  Ga2  1  0.6667  0.3333  0.5761  1.0
  Ga  Ga3  1  0.6667  0.3333  0.9401  1.0
  Cu  Cu4  3  0.1644  0.3287  0.7556  1.0
  Cu  Cu5  3  0.5022  0.0045  0.2421  1.0
  Cu  Cu6  1  0.3333  0.6667  0.5043  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9997  1.0
]