data_[Cu8P4H4O20]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9458]
_cell_length_b [8.5189]
_cell_length_c [10.0541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu2PHO5]
_chemical_formula_sum '[Cu8 P4 H4 O20]'
_cell_volume [411.3757]
_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  0.1265  0.6260  0.6385  1
  Cu  Cu1  4  0.2488  0.5029  0.0002  1
  P  P2  4  0.2370  0.2485  0.7315  1
  H  H3  4  0.4309  0.7067  0.9201  1
  O  O4  4  0.1157  0.2325  0.3307  1
  O  O5  4  0.1302  0.1164  0.1019  1
  O  O6  4  0.1339  0.0891  0.6331  1
  O  O7  4  0.3784  0.5996  0.8746  1
  O  O8  4  0.4429  0.7475  0.1505  1
]