data_[Ca2Zn4H20O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  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 [6.4199]
_cell_length_b [10.3857]
_cell_length_c [5.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaZn2(H5O4)2]
_chemical_formula_sum '[Ca2 Zn4 H20 O16]'
_cell_volume [340.9810]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.4800  0.6442  0.3424  1
  H  H2  4  0.0729  0.6367  0.9685  1
  H  H3  4  0.1663  0.7013  0.7481  1
  H  H4  4  0.1865  0.1919  0.2848  1
  H  H5  4  0.2419  0.0179  0.5704  1
  H  H6  4  0.4897  0.6159  0.8274  1
  O  O7  4  0.0254  0.6825  0.7961  1
  O  O8  4  0.2248  0.5477  0.2043  1
  O  O9  4  0.2634  0.1091  0.2890  1
  O  O10  4  0.4167  0.6753  0.6956  1
]