data_[Ca4Be8Se4O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1053]
_cell_length_b [11.9814]
_cell_length_c [5.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaBe2SeO6]
_chemical_formula_sum '[Ca4 Be8 Se4 O24]'
_cell_volume [566.6372]
_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  0.1064  0.7500  1
  Be  Be1  8  0.2415  0.0380  0.4155  1
  Se  Se2  4  0.0000  0.3162  0.2500  1
  O  O3  8  0.0955  0.2383  0.1259  1
  O  O4  8  0.1107  0.3975  0.5225  1
  O  O5  8  0.1702  0.0164  0.6182  1
]