data_[Na20Ca10P10O40F10]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4164]
_cell_length_b [7.0845]
_cell_length_c [14.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na2CaPO4F]
_chemical_formula_sum '[Na20 Ca10 P10 O40 F10]'
_cell_volume [1199.9603]
_cell_formula_units_Z [10]
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  0.0477  0.2500  0.4145  1
  Na  Na1  4  0.0968  0.2546  0.0032  1
  Na  Na2  4  0.1855  0.2540  0.8111  1
  Na  Na3  4  0.3087  0.2646  0.2036  1
  Na  Na4  4  0.4588  0.2482  0.6157  1
  Ca  Ca5  2  0.0799  0.5000  0.2063  1
  Ca  Ca6  2  0.1857  0.5000  0.6102  1
  Ca  Ca7  2  0.3091  0.0000  0.4065  1
  Ca  Ca8  2  0.3325  0.5000  0.0160  1
  Ca  Ca9  2  0.4530  0.0000  0.8097  1
  P  P10  2  0.0608  0.0000  0.1931  1
  P  P11  2  0.2041  0.0000  0.5997  1
  P  P12  2  0.2990  0.5000  0.4134  1
  P  P13  2  0.3400  0.0000  0.9972  1
  P  P14  2  0.4301  0.5000  0.8001  1
  O  O15  4  0.0043  0.1803  0.8316  1
  O  O16  4  0.1298  0.1771  0.2434  1
  O  O17  4  0.1532  0.1798  0.6326  1
  O  O18  4  0.2920  0.1802  0.0326  1
  O  O19  4  0.3700  0.3180  0.4499  1
  O  O20  2  0.0418  0.0000  0.0800  1
  O  O21  2  0.1729  0.0000  0.4845  1
  O  O22  2  0.1914  0.5000  0.4482  1
  O  O23  2  0.2639  0.5000  0.3008  1
  O  O24  2  0.3073  0.0000  0.8826  1
  O  O25  2  0.3334  0.5000  0.8486  1
  O  O26  2  0.3352  0.0000  0.6448  1
  O  O27  2  0.3788  0.5000  0.6858  1
  O  O28  2  0.4416  0.5000  0.2063  1
  O  O29  2  0.4715  0.0000  0.0402  1
  F  F30  2  0.0742  0.5000  0.7128  1
  F  F31  2  0.1408  0.5000  0.9123  1
  F  F32  2  0.1993  0.5000  0.1081  1
  F  F33  2  0.4216  0.0000  0.2854  1
  F  F34  2  0.4965  0.0000  0.5049  1
]