data_[Tm16Fe4Ni4]
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 [I4_1md]
_cell_length_a [8.8557]
_cell_length_b [8.8557]
_cell_length_c [7.8192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Tm4FeNi]
_chemical_formula_sum '[Tm16 Fe4 Ni4]'
_cell_volume [613.2125]
_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  8  0.0000  0.1994  0.5070  1
  Tm  Tm1  8  0.0000  0.2064  0.9935  1
  Fe  Fe2  4  0.0000  0.0000  0.7518  1
  Ni  Ni3  4  0.0000  0.0000  0.2471  1
]