data_[Tm12Cu12Ni4]
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 [C2/m]
_cell_length_a [9.8650]
_cell_length_b [3.7656]
_cell_length_c [14.8133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Cu3Ni]
_chemical_formula_sum '[Tm12 Cu12 Ni4]'
_cell_volume [531.0202]
_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  0.0227  0.5000  0.3880  1
  Tm  Tm1  4  0.1094  0.5000  0.9229  1
  Tm  Tm2  4  0.2393  0.5000  0.2375  1
  Cu  Cu3  4  0.0240  0.0000  0.2309  1
  Cu  Cu4  4  0.1035  0.0000  0.0765  1
  Cu  Cu5  4  0.1542  0.0000  0.5332  1
  Ni  Ni6  4  0.2263  0.0000  0.3744  1
]