data_[Tm8Cu32]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.5623]
_cell_length_b [8.5623]
_cell_length_c [8.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [TmCu4]
_chemical_formula_sum '[Tm8 Cu32]'
_cell_volume [627.7308]
_cell_formula_units_Z [8]
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  0.2149  0.7851  0.7851  1.0
  Cu  Cu1  12  0.0000  0.0000  0.3551  1.0
  Cu  Cu2  12  0.0000  0.2500  0.5000  1.0
  Cu  Cu3  8  0.1027  0.1027  0.8973  1.0
]