data_[Tm16Ni6Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5703]
_cell_length_b [7.0030]
_cell_length_c [6.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Ni3Sn2]
_chemical_formula_sum '[Tm16 Ni6 Sn4]'
_cell_volume [697.7507]
_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  8  0.0988  0.2530  0.4164  1
  Tm  Tm1  4  0.0834  0.0000  0.9207  1
  Tm  Tm2  4  0.1666  0.5000  0.0441  1
  Ni  Ni3  4  0.0000  0.3301  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.5000  1
  Sn  Sn5  4  0.2457  0.0000  0.3267  1
]