data_[Tm1In3Ni8]
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 [P3m1]
_cell_length_a [4.9658]
_cell_length_b [4.9658]
_cell_length_c [8.0163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmIn3Ni8]
_chemical_formula_sum '[Tm1 In3 Ni8]'
_cell_volume [171.1953]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5688  1
  In  In1  1  0.0000  0.0000  0.9456  1
  In  In2  1  0.6667  0.3333  0.0587  1
  In  In3  1  0.6667  0.3333  0.4335  1
  Ni  Ni4  3  0.1664  0.3328  0.2486  1
  Ni  Ni5  3  0.5009  0.0018  0.7506  1
  Ni  Ni6  1  0.3333  0.6667  0.4994  1
  Ni  Ni7  1  0.3333  0.6667  0.9964  1
]