data_[Ca4Er4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [7.7782]
_cell_length_b [10.1408]
_cell_length_c [6.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaEr(BO3)2]
_chemical_formula_sum '[Ca4 Er4 B8 O24]'
_cell_volume [509.7635]
_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
[
  Ca  Ca0  4  0.0000  0.0848  0.7500  1.0
  Er  Er1  4  0.0000  0.4277  0.2500  1.0
  B  B2  8  0.2432  0.3361  0.7416  1.0
  O  O3  8  0.0984  0.3960  0.5968  1.0
  O  O4  8  0.1438  0.0830  0.1148  1.0
  O  O5  8  0.2328  0.2981  0.2553  1.0
]