data_[Tm16Al4Cu2]
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 [C2/m]
_cell_length_a [18.0282]
_cell_length_b [4.9835]
_cell_length_c [6.5441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Al2Cu]
_chemical_formula_sum '[Tm16 Al4 Cu2]'
_cell_volume [572.9730]
_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  0.0205  0.0000  0.7737  1.0
  Tm  Tm1  4  0.0938  0.5000  0.4579  1.0
  Tm  Tm2  4  0.1513  0.5000  0.9701  1.0
  Tm  Tm3  4  0.2078  0.0000  0.3001  1.0
  Al  Al4  4  0.1890  0.0000  0.7488  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]