data_[Tm12Cu12Ni8]
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 [Cmcm]
_cell_length_a [3.7958]
_cell_length_b [9.5924]
_cell_length_c [15.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Cu3Ni2]
_chemical_formula_sum '[Tm12 Cu12 Ni8]'
_cell_volume [560.1676]
_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  0.0690  0.6042  1.0
  Tm  Tm1  4  0.0000  0.3484  0.7500  1.0
  Cu  Cu2  8  0.0000  0.3582  0.5303  1.0
  Cu  Cu3  4  0.0000  0.3635  0.2500  1.0
  Ni  Ni4  8  0.0000  0.2208  0.1166  1.0
]