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 [15.7902]
_cell_length_b [4.1982]
_cell_length_c [8.4901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(CuSn)4]
_chemical_formula_sum '[Tm6 Cu8 Sn8]'
_cell_volume [475.2826]
_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  0.1468  0.0000  0.1518  1
  Tm  Tm1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.1883  0.5000  0.4499  1
  Cu  Cu3  4  0.1911  0.5000  0.9283  1
  Sn  Sn4  4  0.0020  0.5000  0.8417  1
  Sn  Sn5  4  0.1755  0.0000  0.6757  1
]