data_[Tm16Zn4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2733]
_cell_length_b [12.1224]
_cell_length_c [5.9798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4ZnFe]
_chemical_formula_sum '[Tm16 Zn4 Fe4]'
_cell_volume [578.8459]
_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  0.1041  0.1676  0.5388  1
  Tm  Tm1  8  0.2122  0.4197  0.9071  1
  Zn  Zn2  4  0.0000  0.3718  0.2500  1
  Fe  Fe3  4  0.0000  0.0022  0.7500  1
]