data_[Zn4B4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1813]
_cell_length_b [2.9476]
_cell_length_c [5.0537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnBO2]
_chemical_formula_sum '[Zn4 B4 O8]'
_cell_volume [171.0749]
_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
[
  Zn  Zn0  4  0.1293  0.0000  0.9819  1
  B  B1  4  0.1841  0.5000  0.4939  1
  O  O2  4  0.0989  0.5000  0.2343  1
  O  O3  4  0.1688  0.5000  0.7533  1
]