data_[Er4Ga4Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0549]
_cell_length_b [5.0120]
_cell_length_c [10.1356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErGaCu5]
_chemical_formula_sum '[Er4 Ga4 Cu20]'
_cell_volume [409.1877]
_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  0.2434  0.2500  0.0608  1
  Ga  Ga1  4  0.1445  0.7500  0.8546  1
  Cu  Cu2  8  0.0661  0.0054  0.3063  1
  Cu  Cu3  4  0.0646  0.7500  0.0890  1
  Cu  Cu4  4  0.0924  0.2500  0.5165  1
  Cu  Cu5  4  0.1826  0.2500  0.7536  1
]