data_[Zr2V2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  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 [8.2969]
_cell_length_b [5.3992]
_cell_length_c [6.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrV(PO4)2]
_chemical_formula_sum '[Zr2 V2 P4 O16]'
_cell_volume [300.2405]
_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  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  P  P2  4  0.1521  0.5000  0.2557  1.0
  O  O3  8  0.0399  0.2634  0.2384  1.0
  O  O4  4  0.2415  0.0000  0.9321  1.0
  O  O5  4  0.2479  0.5000  0.4477  1.0
]