data_[Na2Ca6Fe8Si16O48]
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 [C2]
_cell_length_a [12.4224]
_cell_length_b [9.0839]
_cell_length_c [9.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaCa3Fe4(SiO3)8]
_chemical_formula_sum '[Na2 Ca6 Fe8 Si16 O48]'
_cell_volume [926.7050]
_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  2  0.0000  0.6686  0.5000  1
  Ca  Ca1  4  0.2463  0.5744  0.2457  1
  Ca  Ca2  2  0.0000  0.1737  0.0000  1
  Fe  Fe3  4  0.2470  0.4734  0.7450  1
  Fe  Fe4  2  0.0000  0.2809  0.5000  1
  Fe  Fe5  2  0.0000  0.7853  0.0000  1
  Si  Si6  4  0.0056  0.4645  0.7923  1
  Si  Si7  4  0.0078  0.9680  0.2977  1
  Si  Si8  4  0.2426  0.7865  0.9566  1
  Si  Si9  4  0.2439  0.2804  0.4544  1
  O  O10  4  0.0353  0.1236  0.6647  1
  O  O11  4  0.0358  0.6215  0.1762  1
  O  O12  4  0.0472  0.4475  0.6646  1
  O  O13  4  0.0482  0.9704  0.1684  1
  O  O14  4  0.1226  0.3925  0.9730  1
  O  O15  4  0.1268  0.8931  0.4731  1
  O  O16  4  0.1277  0.3572  0.2746  1
  O  O17  4  0.1297  0.8682  0.7809  1
  O  O18  4  0.1921  0.2810  0.5745  1
  O  O19  4  0.2019  0.7894  0.0863  1
  O  O20  4  0.2148  0.6239  0.5746  1
  O  O21  4  0.2149  0.1302  0.0740  1
]