data_[Ca4Be4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9548]
_cell_length_b [9.7047]
_cell_length_c [5.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaBe(SiO3)2]
_chemical_formula_sum '[Ca4 Be4 Si8 O24]'
_cell_volume [478.8808]
_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  0.1249  0.2500  1
  Be  Be1  4  0.0000  0.2045  0.7500  1
  Si  Si2  8  0.1961  0.4164  0.1472  1
  O  O3  8  0.0948  0.2793  0.0384  1
  O  O4  8  0.1207  0.0997  0.7072  1
  O  O5  8  0.1602  0.4763  0.3946  1
]