data_[Tm2Cu4Sn4]
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 [P2_1/m]
_cell_length_a [4.5726]
_cell_length_b [4.2034]
_cell_length_c [10.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(CuSn)2]
_chemical_formula_sum '[Tm2 Cu4 Sn4]'
_cell_volume [203.9899]
_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  2  0.3077  0.7500  0.7667  1.0
  Cu  Cu1  2  0.2532  0.7500  0.3568  1.0
  Cu  Cu2  2  0.3373  0.2500  0.9915  1.0
  Sn  Sn3  2  0.1676  0.7500  0.1230  1.0
  Sn  Sn4  2  0.2466  0.2500  0.5107  1.0
]