data_[Er4Cu4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6889]
_cell_length_b [7.1503]
_cell_length_c [7.1761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErCuF5]
_chemical_formula_sum '[Er4 Cu4 F20]'
_cell_volume [411.3015]
_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  0.0000  0.4415  0.2500  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0149  0.3288  0.9624  1
  F  F3  8  0.2324  0.0409  0.6267  1
  F  F4  4  0.0000  0.1189  0.2500  1
]