data_[Tm20Ni4Sn8]
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 [Cmcm]
_cell_length_a [5.4720]
_cell_length_b [15.3246]
_cell_length_c [13.6355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm5NiSn2]
_chemical_formula_sum '[Tm20 Ni4 Sn8]'
_cell_volume [1143.4280]
_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  8  0.0000  0.0530  0.1201  1
  Tm  Tm1  8  0.0000  0.2804  0.0985  1
  Tm  Tm2  4  0.0000  0.2905  0.7500  1
  Ni  Ni3  4  0.0000  0.1746  0.2500  1
  Sn  Sn4  8  0.0000  0.1421  0.5778  1
]