data_[Tm6Sc8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5801]
_cell_length_b [8.4057]
_cell_length_c [15.1058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3(ScNi)4]
_chemical_formula_sum '[Tm6 Sc8 Ni8]'
_cell_volume [454.5771]
_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  4  0.0000  0.0000  0.1058  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  8  0.0000  0.1835  0.6673  1.0
  Ni  Ni3  4  0.0000  0.2981  0.5000  1.0
  Ni  Ni4  4  0.0000  0.5000  0.2452  1.0
]