data_[Ca4Fe4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  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 [9.8354]
_cell_length_b [9.0140]
_cell_length_c [5.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaFe(SiO3)2]
_chemical_formula_sum '[Ca4 Fe4 Si8 O24]'
_cell_volume [448.1615]
_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  0.3035  0.7500  1
  Fe  Fe1  4  0.0000  0.0920  0.2500  1
  Si  Si2  8  0.2132  0.4063  0.2696  1
  O  O3  8  0.1164  0.0927  0.6433  1
  O  O4  8  0.1393  0.2515  0.1701  1
  O  O5  8  0.1494  0.4777  0.5101  1
]