data_[Cu4P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cc]
_cell_length_a [5.2553]
_cell_length_b [10.3780]
_cell_length_c [5.9072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CuPO4]
_chemical_formula_sum '[Cu4 P4 O16]'
_cell_volume [308.9656]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.3657  0.1481  0.9661  1.0
  P  P1  4  0.4595  0.3631  0.6096  1.0
  O  O2  4  0.0300  0.2192  0.9096  1.0
  O  O3  4  0.1950  0.4355  0.5272  1.0
  O  O4  4  0.2018  0.9589  0.6457  1.0
  O  O5  4  0.4987  0.2885  0.8418  1.0
]