data_[Tm6Cu8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9886]
_cell_length_b [4.4251]
_cell_length_c [6.9275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(CuSn)4]
_chemical_formula_sum '[Tm6 Cu8 Sn8]'
_cell_volume [445.1882]
_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  0.1295  0.0000  0.1502  1.0
  Tm  Tm1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.1547  0.5000  0.4789  1.0
  Cu  Cu3  4  0.1892  0.5000  0.8855  1.0
  Sn  Sn4  4  0.0139  0.5000  0.8107  1.0
  Sn  Sn5  4  0.2174  0.0000  0.6931  1.0
]