data_[Cr2P2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/n]
_cell_length_a [5.8859]
_cell_length_b [5.8859]
_cell_length_c [5.6048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [85]
_chemical_formula_structural [CrPO5]
_chemical_formula_sum '[Cr2 P2 O10]'
_cell_volume [194.1721]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.2542  1.0
  P  P1  2  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.0751  0.8012  0.3383  1.0
  O  O3  2  0.0000  0.5000  0.9732  1.0
]