data_[Zr4P4O14]
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 [C2/m]
_cell_length_a [7.0307]
_cell_length_b [8.4847]
_cell_length_c [4.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2P2O7]
_chemical_formula_sum '[Zr4 P4 O14]'
_cell_volume [277.4153]
_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  4  0.0000  0.3430  0.5000  1
  P  P1  4  0.2101  0.0000  0.8887  1
  O  O2  8  0.2157  0.1589  0.7251  1
  O  O3  4  0.1582  0.5000  0.8315  1
  O  O4  2  0.0000  0.0000  0.0000  1
]