data_[Si3P1O4F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [P1]
_cell_length_a [4.2861]
_cell_length_b [6.4683]
_cell_length_c [6.9250]
_cell_angle_alpha [108.5246]
_cell_angle_beta [104.5021]
_cell_angle_gamma [104.7215]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si3PO4F3]
_chemical_formula_sum '[Si3 P1 O4 F3]'
_cell_volume [164.1874]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.0285  0.4870  0.7633  1
  Si  Si1  1  0.3055  0.0091  0.4032  1
  Si  Si2  1  0.4544  0.2964  0.7638  1
  P  P3  1  0.1368  0.9968  0.9570  1
  O  O4  1  0.1587  0.0903  0.2024  1
  O  O5  1  0.2382  0.7712  0.9287  1
  O  O6  1  0.4485  0.1928  0.9599  1
  O  O7  1  0.8059  0.9469  0.7877  1
  F  F8  1  0.0706  0.7412  0.3257  1
  F  F9  1  0.6721  0.9948  0.3900  1
  F  F10  1  0.8818  0.4735  0.5183  1
]