data_[Er16B4Cl4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4703]
_cell_length_b [7.9375]
_cell_length_c [12.0920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er4BClO7]
_chemical_formula_sum '[Er16 B4 Cl4 O28]'
_cell_volume [705.5833]
_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  0.0694  0.6391  0.9191  1
  Er  Er1  4  0.0747  0.1176  0.9084  1
  Er  Er2  4  0.2975  0.6250  0.2788  1
  Er  Er3  4  0.3189  0.1142  0.2803  1
  B  B4  4  0.3693  0.6309  0.5861  1
  Cl  Cl5  4  0.3815  0.1503  0.5317  1
  O  O6  4  0.0395  0.6223  0.0971  1
  O  O7  4  0.0742  0.1216  0.0927  1
  O  O8  4  0.1799  0.6171  0.7826  1
  O  O9  4  0.1908  0.1376  0.7740  1
  O  O10  4  0.2731  0.6102  0.4558  1
  O  O11  4  0.3850  0.7081  0.1332  1
  O  O12  4  0.4368  0.0042  0.1663  1
]