data_[Zn4Ni24B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.7005]
_cell_length_b [7.0007]
_cell_length_c [7.5298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zn(Ni3B)2]
_chemical_formula_sum '[Zn4 Ni24 B8]'
_cell_volume [353.2097]
_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  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  8  0.0000  0.2154  0.2404  1.0
  Ni  Ni3  8  0.1966  0.5000  0.1784  1.0
  Ni  Ni4  8  0.2059  0.3088  0.5000  1.0
  B  B5  4  0.0000  0.3522  0.0000  1.0
  B  B6  4  0.0000  0.5000  0.3803  1.0
]