data_[Er4Tm4Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4455]
_cell_length_b [5.0320]
_cell_length_c [10.8365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErTmCu5]
_chemical_formula_sum '[Er4 Tm4 Cu20]'
_cell_volume [460.5249]
_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
[
  Er  Er0  4  0.1323  0.7500  0.8596  1
  Tm  Tm1  4  0.2418  0.7500  0.5553  1
  Cu  Cu2  8  0.0694  0.5005  0.3178  1
  Cu  Cu3  4  0.0488  0.7500  0.1108  1
  Cu  Cu4  4  0.0852  0.2500  0.5200  1
  Cu  Cu5  4  0.1949  0.2500  0.7341  1
]