data_[Tm16Fe2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6522]
_cell_length_b [4.9217]
_cell_length_c [6.5249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8FeNi2]
_chemical_formula_sum '[Tm16 Fe2 Ni4]'
_cell_volume [510.9214]
_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  0.0342  0.0000  0.7968  1.0
  Tm  Tm1  4  0.0919  0.5000  0.4401  1.0
  Tm  Tm2  4  0.1682  0.5000  0.9720  1.0
  Tm  Tm3  4  0.2002  0.0000  0.3179  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  4  0.1865  0.0000  0.7091  1.0
]