data_[Zn4Ni16B4]
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 [4.3332]
_cell_length_b [5.2064]
_cell_length_c [11.2385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ZnNi4B]
_chemical_formula_sum '[Zn4 Ni16 B4]'
_cell_volume [253.5462]
_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  0.0000  0.0000  0.1962  1
  Ni  Ni1  8  0.0000  0.2592  0.3821  1
  Ni  Ni2  4  0.0000  0.2207  0.0000  1
  Ni  Ni3  4  0.0000  0.5000  0.1775  1
  B  B4  4  0.2005  0.0000  0.5000  1
]