data_[In2P4H12N2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.4524]
_cell_length_b [5.4524]
_cell_length_c [12.7803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [InP2H6NO6]
_chemical_formula_sum '[In2 P4 H12 N2 O12]'
_cell_volume [329.0332]
_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
[
  In  In0  2  0.3333  0.6667  0.3995  1
  P  P1  2  0.0000  0.0000  0.3321  1
  P  P2  2  0.3333  0.6667  0.0333  1
  H  H3  6  0.1272  0.5636  0.7243  1
  H  H4  2  0.0000  0.0000  0.4421  1
  H  H5  2  0.3333  0.6667  0.1429  1
  H  H6  2  0.3333  0.6667  0.6168  1
  N  N7  2  0.3333  0.6667  0.6974  1
  O  O8  6  0.0208  0.5104  0.0019  1
  O  O9  6  0.1550  0.3100  0.2939  1
]