data_[Tm4Zn40Ni8]
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 [Cmcm]
_cell_length_a [8.7663]
_cell_length_b [10.2268]
_cell_length_c [8.6366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm(Zn5Ni)2]
_chemical_formula_sum '[Tm4 Zn40 Ni8]'
_cell_volume [774.2800]
_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  4  0.0000  0.1283  0.2500  1
  Zn  Zn1  8  0.0000  0.1500  0.5988  1
  Zn  Zn2  8  0.0000  0.3747  0.0430  1
  Zn  Zn3  8  0.1535  0.3722  0.7500  1
  Zn  Zn4  8  0.2266  0.0000  0.0000  1
  Zn  Zn5  8  0.2288  0.3694  0.2500  1
  Ni  Ni6  8  0.2500  0.2500  0.0000  1
]