data_[Ba2Cr2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [5.4424]
_cell_length_b [7.5330]
_cell_length_c [7.6858]
_cell_angle_alpha [103.1543]
_cell_angle_beta [90.8801]
_cell_angle_gamma [94.4951]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCrP2O7]
_chemical_formula_sum '[Ba2 Cr2 P4 O14]'
_cell_volume [305.7085]
_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
[
  Ba  Ba0  2  0.2116  0.2761  0.9312  1
  Cr  Cr1  2  0.1925  0.1478  0.4017  1
  P  P2  2  0.2817  0.6827  0.3996  1
  P  P3  2  0.2986  0.7654  0.7875  1
  O  O4  2  0.0824  0.8221  0.4053  1
  O  O5  2  0.0830  0.8902  0.8005  1
  O  O6  2  0.2249  0.5106  0.2573  1
  O  O7  2  0.2680  0.6241  0.5922  1
  O  O8  2  0.2832  0.6516  0.9279  1
  O  O9  2  0.4495  0.1238  0.2036  1
  O  O10  2  0.4579  0.2224  0.6065  1
]