data_[Tm2Sc8Ni4]
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 [P2_1/m]
_cell_length_a [7.1782]
_cell_length_b [5.8540]
_cell_length_c [7.5202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(Sc2Ni)2]
_chemical_formula_sum '[Tm2 Sc8 Ni4]'
_cell_volume [292.1015]
_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  2  0.1515  0.2500  0.0216  1
  Sc  Sc1  4  0.4076  0.0030  0.7663  1
  Sc  Sc2  2  0.0244  0.2500  0.3920  1
  Sc  Sc3  2  0.2566  0.7500  0.3500  1
  Ni  Ni4  2  0.2583  0.7500  0.9902  1
  Ni  Ni5  2  0.3830  0.2500  0.4239  1
]