data_[Ba2Cr2P4O16]
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 [C2/m]
_cell_length_a [8.1470]
_cell_length_b [5.2270]
_cell_length_c [7.8593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCr(PO4)2]
_chemical_formula_sum '[Ba2 Cr2 P4 O16]'
_cell_volume [333.4413]
_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  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1307  0.5000  0.7973  1.0
  O  O3  8  0.0250  0.2560  0.8194  1.0
  O  O4  4  0.1854  0.5000  0.6163  1.0
  O  O5  4  0.2287  0.0000  0.0552  1.0
]