data_[Ba4Er4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3685]
_cell_length_b [9.9718]
_cell_length_c [6.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaEr(BO3)2]
_chemical_formula_sum '[Ba4 Er4 B8 O24]'
_cell_volume [544.0340]
_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
[
  Ba  Ba0  4  0.0000  0.1363  0.2500  1
  Er  Er1  4  0.0000  0.4118  0.7500  1
  B  B2  8  0.2389  0.3742  0.2493  1
  O  O3  8  0.0815  0.3838  0.0940  1
  O  O4  8  0.1732  0.2442  0.7148  1
  O  O5  8  0.2118  0.0162  0.6243  1
]