data_[Tm4Cu4Sn12]
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 [Pbcm]
_cell_length_a [12.3078]
_cell_length_b [6.1911]
_cell_length_c [6.0392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TmCuSn3]
_chemical_formula_sum '[Tm4 Cu4 Sn12]'
_cell_volume [460.1829]
_cell_formula_units_Z [4]
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  0.3030  0.5073  0.7500  1.0
  Cu  Cu1  4  0.1198  0.7500  0.0000  1.0
  Sn  Sn2  4  0.0550  0.1051  0.2500  1.0
  Sn  Sn3  4  0.2432  0.0185  0.7500  1.0
  Sn  Sn4  4  0.4992  0.7500  0.0000  1.0
]