data_[Tm16Cu2Sn4]
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 [18.8272]
_cell_length_b [4.9305]
_cell_length_c [6.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8CuSn2]
_chemical_formula_sum '[Tm16 Cu2 Sn4]'
_cell_volume [594.7514]
_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  0.0184  0.0000  0.7800  1
  Tm  Tm1  4  0.0915  0.5000  0.4687  1
  Tm  Tm2  4  0.1470  0.5000  0.9981  1
  Tm  Tm3  4  0.2151  0.0000  0.3165  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
  Sn  Sn5  4  0.1827  0.0000  0.7595  1
]