data_[Na2Ca2Fe4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2]
_cell_length_a [5.3523]
_cell_length_b [9.0471]
_cell_length_c [9.7955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [NaCaFe2(SiO3)4]
_chemical_formula_sum '[Na2 Ca2 Fe4 Si8 O24]'
_cell_volume [458.1403]
_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
[
  Na  Na0  1  0.0000  0.2067  0.5000  1
  Na  Na1  1  0.5000  0.6996  0.0000  1
  Ca  Ca2  1  0.0000  0.2969  0.0000  1
  Ca  Ca3  1  0.5000  0.8059  0.5000  1
  Fe  Fe4  1  0.0000  0.5926  0.5000  1
  Fe  Fe5  1  0.0000  0.8972  0.0000  1
  Fe  Fe6  1  0.5000  0.0921  0.0000  1
  Fe  Fe7  1  0.5000  0.3972  0.5000  1
  Si  Si8  2  0.1912  0.9064  0.7108  1
  Si  Si9  2  0.1952  0.5943  0.2096  1
  Si  Si10  2  0.2996  0.0879  0.2875  1
  Si  Si11  2  0.3024  0.4134  0.7882  1
  O  O12  2  0.0927  0.5141  0.8528  1
  O  O13  2  0.1027  0.9790  0.3537  1
  O  O14  2  0.2014  0.7537  0.1373  1
  O  O15  2  0.2023  0.7488  0.6327  1
  O  O16  2  0.2074  0.0776  0.1146  1
  O  O17  2  0.2135  0.4278  0.6166  1
  O  O18  2  0.2654  0.9104  0.8830  1
  O  O19  2  0.2701  0.5956  0.3831  1
  O  O20  2  0.2952  0.2552  0.8617  1
  O  O21  2  0.2960  0.2481  0.3538  1
  O  O22  2  0.4029  0.4882  0.1522  1
  O  O23  2  0.4103  0.0057  0.6544  1
]