data_[Si2P4O14]
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
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [4.8064]
_cell_length_b [4.8064]
_cell_length_c [12.1063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [SiP2O7]
_chemical_formula_sum '[Si2 P4 O14]'
_cell_volume [242.2039]
_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
[
  Si  Si0  2  0.0000  0.0000  0.0000  1.0
  P  P1  4  0.3333  0.6667  0.1199  1.0
  O  O2  12  0.0742  0.3298  0.0864  1.0
  O  O3  2  0.3333  0.6667  0.2500  1.0
]