data_[Tm4Mg4Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1870]
_cell_length_b [5.0095]
_cell_length_c [10.4088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmMgCu5]
_chemical_formula_sum '[Tm4 Mg4 Cu20]'
_cell_volume [426.8898]
_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  0.2495  0.2500  0.0603  1
  Mg  Mg1  4  0.1364  0.7500  0.8614  1
  Cu  Cu2  8  0.0679  0.0051  0.3121  1
  Cu  Cu3  4  0.0516  0.7500  0.1022  1
  Cu  Cu4  4  0.0885  0.2500  0.5173  1
  Cu  Cu5  4  0.1871  0.2500  0.7437  1
]