data_[Tm8Cu8Ni4]
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 [9.8083]
_cell_length_b [3.8116]
_cell_length_c [10.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Cu2Ni]
_chemical_formula_sum '[Tm8 Cu8 Ni4]'
_cell_volume [368.1177]
_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  0.0052  0.0000  0.3382  1.0
  Tm  Tm1  4  0.1925  0.0000  0.1201  1.0
  Cu  Cu2  4  0.0247  0.5000  0.8895  1.0
  Cu  Cu3  4  0.1556  0.5000  0.5496  1.0
  Ni  Ni4  4  0.2058  0.5000  0.3204  1.0
]