data_[Ca4Tb4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [7.7718]
_cell_length_b [10.2443]
_cell_length_c [6.8889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTb(BO3)2]
_chemical_formula_sum '[Ca4 Tb4 B8 O24]'
_cell_volume [521.1676]
_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  0.0824  0.7500  1.0
  Tb  Tb1  4  0.0000  0.4276  0.2500  1.0
  B  B2  8  0.2419  0.3365  0.7446  1.0
  O  O3  8  0.0989  0.3948  0.5966  1.0
  O  O4  8  0.1465  0.0820  0.1138  1.0
  O  O5  8  0.2358  0.2967  0.2510  1.0
]