data_[Tm4In16Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [18.0454]
_cell_length_b [4.3580]
_cell_length_c [7.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm(In2Ni)2]
_chemical_formula_sum '[Tm4 In16 Ni8]'
_cell_volume [558.3435]
_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  4  0.1423  0.7500  0.5427  1
  In  In1  4  0.0319  0.2500  0.3582  1
  In  In2  4  0.0702  0.7500  0.0067  1
  In  In3  4  0.1862  0.2500  0.8377  1
  In  In4  4  0.1935  0.2500  0.2510  1
  Ni  Ni5  4  0.0441  0.2500  0.7445  1
  Ni  Ni6  4  0.2191  0.7500  0.0473  1
]