data_[Tm6Al18Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2289]
_cell_length_b [10.0057]
_cell_length_c [12.0062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3Al9Cu2]
_chemical_formula_sum '[Tm6 Al18 Cu4]'
_cell_volume [508.0216]
_cell_formula_units_Z [2]
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  0.0000  0.3108  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.2806  0.1286  1
  Al  Al3  8  0.0000  0.3702  0.3437  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
  Cu  Cu5  4  0.0000  0.2045  0.5000  1
]