data_[Tm20Tl8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2670]
_cell_length_b [7.5483]
_cell_length_c [7.0815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(TlNi)2]
_chemical_formula_sum '[Tm20 Tl8 Ni8]'
_cell_volume [869.5235]
_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  16  0.1143  0.1777  0.6657  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2254  0.0000  0.0000  1.0
  Ni  Ni3  8  0.0000  0.1257  0.3762  1.0
]