data_[Na4Ca4Zr4Fe4Si8O32F4]
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
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2816]
_cell_length_b [10.0527]
_cell_length_c [10.9488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCaZrFeSi2O8F]
_chemical_formula_sum '[Na4 Ca4 Zr4 Fe4 Si8 O32 F4]'
_cell_volume [762.0779]
_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
[
  Na  Na0  4  0.3379  0.1172  0.4283  1
  Ca  Ca1  4  0.4746  0.6070  0.6958  1
  Zr  Zr2  4  0.0211  0.0997  0.7872  1
  Fe  Fe3  4  0.1337  0.6275  0.0578  1
  Si  Si4  4  0.2194  0.1694  0.1201  1
  Si  Si5  4  0.3296  0.6720  0.3825  1
  O  O6  4  0.0413  0.5127  0.8827  1
  O  O7  4  0.0925  0.2201  0.9787  1
  O  O8  4  0.1781  0.0160  0.1534  1
  O  O9  4  0.2058  0.7464  0.7532  1
  O  O10  4  0.2166  0.2344  0.7410  1
  O  O11  4  0.2696  0.5142  0.3755  1
  O  O12  4  0.3365  0.7427  0.5167  1
  O  O13  4  0.4506  0.1713  0.1303  1
  F  F14  4  0.4105  0.0036  0.6167  1
]