data_[Ca2Fe4Si8O24]
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]
_cell_length_a [9.7810]
_cell_length_b [8.9251]
_cell_length_c [5.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaFe2(SiO3)4]
_chemical_formula_sum '[Ca2 Fe4 Si8 O24]'
_cell_volume [445.7966]
_cell_formula_units_Z [2]
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  2  0.0000  0.6965  0.5000  1
  Fe  Fe1  2  0.0000  0.1122  0.5000  1
  Fe  Fe2  2  0.0000  0.9082  0.0000  1
  Si  Si3  4  0.2088  0.4098  0.5141  1
  Si  Si4  4  0.2098  0.5883  0.0222  1
  O  O5  4  0.1141  0.9158  0.3903  1
  O  O6  4  0.1156  0.0713  0.8812  1
  O  O7  4  0.1348  0.7510  0.9393  1
  O  O8  4  0.1464  0.5178  0.2521  1
  O  O9  4  0.1477  0.2428  0.4595  1
  O  O10  4  0.1504  0.4955  0.7388  1
]