data_[Ba2Y2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [8.9099]
_cell_length_b [5.4978]
_cell_length_c [8.1672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaY(PO4)2]
_chemical_formula_sum '[Ba2 Y2 P4 O16]'
_cell_volume [400.0142]
_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
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1410  0.5000  0.7665  1.0
  O  O3  8  0.0431  0.2691  0.7923  1.0
  O  O4  4  0.1961  0.5000  0.5882  1.0
  O  O5  4  0.2306  0.0000  0.1054  1.0
]