data_[Tm4Zn4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.1034]
_cell_length_b [4.7665]
_cell_length_c [11.7223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TmZnNi2]
_chemical_formula_sum '[Tm4 Zn4 Ni8]'
_cell_volume [285.1516]
_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  2  0.2500  0.0000  0.4126  1
  Tm  Tm1  2  0.2500  0.5000  0.1016  1
  Zn  Zn2  2  0.2500  0.0000  0.6896  1
  Zn  Zn3  2  0.2500  0.5000  0.6793  1
  Ni  Ni4  4  0.2500  0.2560  0.8652  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  2  0.0000  0.5000  0.5000  1
]