data_[Ba4Cu2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  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 [12.3299]
_cell_length_b [5.1980]
_cell_length_c [7.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Cu(PO4)2]
_chemical_formula_sum '[Ba4 Cu2 P4 O16]'
_cell_volume [432.5635]
_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  4  0.1732  0.0000  0.2149  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.1329  0.0000  0.7024  1.0
  O  O3  8  0.1222  0.2438  0.5644  1.0
  O  O4  4  0.0471  0.0000  0.8247  1.0
  O  O5  4  0.2452  0.5000  0.1598  1.0
]