data_[Zn8Ni12B4]
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 [C2/m]
_cell_length_a [16.9946]
_cell_length_b [2.6435]
_cell_length_c [6.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Ni3B]
_chemical_formula_sum '[Zn8 Ni12 B4]'
_cell_volume [259.7286]
_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  0.0127  0.5000  0.7206  1
  Zn  Zn1  4  0.1754  0.5000  0.9419  1
  Ni  Ni2  4  0.0795  0.0000  0.1106  1
  Ni  Ni3  4  0.1169  0.0000  0.5598  1
  Ni  Ni4  4  0.2398  0.0000  0.3205  1
  B  B5  4  0.1536  0.5000  0.3590  1
]