data_[Tm24Cu4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.1682]
_cell_length_b [9.2413]
_cell_length_c [9.5910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6CuNi2]
_chemical_formula_sum '[Tm24 Cu4 Ni8]'
_cell_volume [812.6071]
_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  0.1877  0.2441  1.0
  Tm  Tm1  8  0.1924  0.5000  0.1737  1.0
  Tm  Tm2  8  0.2260  0.6779  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  4  0.0000  0.3419  0.0000  1.0
  Ni  Ni6  4  0.0000  0.5000  0.3799  1.0
]