data_[Zr2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.8634]
_cell_length_b [8.5702]
_cell_length_c [5.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [ZrP2O7]
_chemical_formula_sum '[Zr2 P4 O14]'
_cell_volume [322.4839]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.5000  1.0
  P  P1  4  0.1880  0.8931  0.5000  1.0
  O  O2  8  0.1990  0.4327  0.2309  1.0
  O  O3  4  0.1170  0.7249  0.5000  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]