data_[Tm2Zn4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6389]
_cell_length_b [4.0423]
_cell_length_c [11.3389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tm(ZnCu)2]
_chemical_formula_sum '[Tm2 Zn4 Cu4]'
_cell_volume [166.7908]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.2515  1
  Zn  Zn1  2  0.0000  0.0000  0.5106  1
  Zn  Zn2  2  0.0000  0.5000  0.8623  1
  Cu  Cu3  2  0.0000  0.0000  0.9876  1
  Cu  Cu4  2  0.0000  0.5000  0.6468  1
]