data_[Ca4Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9893]
_cell_length_b [12.0586]
_cell_length_c [8.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca(SeO3)2]
_chemical_formula_sum '[Ca4 Se8 O24]'
_cell_volume [598.8016]
_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  0.3153  0.5870  0.7625  1
  Se  Se1  4  0.1512  0.1816  0.2559  1
  Se  Se2  4  0.2790  0.6343  0.1580  1
  O  O3  4  0.0112  0.6034  0.4371  1
  O  O4  4  0.0500  0.6953  0.1574  1
  O  O5  4  0.1536  0.6323  0.9291  1
  O  O6  4  0.3489  0.0868  0.4118  1
  O  O7  4  0.3808  0.5129  0.2624  1
  O  O8  4  0.4864  0.7348  0.2712  1
]