data_[Ca4Pr4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  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 [8.5228]
_cell_length_b [9.7862]
_cell_length_c [6.7920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaPr(BO3)2]
_chemical_formula_sum '[Ca4 Pr4 B8 O24]'
_cell_volume [534.9430]
_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  0.1840  0.7500  1.0
  Pr  Pr1  4  0.0000  0.3722  0.2500  1.0
  B  B2  8  0.2371  0.0841  0.2325  1.0
  O  O3  8  0.1084  0.3830  0.6265  1.0
  O  O4  8  0.1289  0.1842  0.1276  1.0
  O  O5  8  0.2061  0.0524  0.6906  1.0
]