data_[Li2Zn4Ni10B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P4/mbm]
_cell_length_a [8.4730]
_cell_length_b [8.4730]
_cell_length_c [2.8843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [LiZn2Ni5B2]
_chemical_formula_sum '[Li2 Zn4 Ni10 B4]'
_cell_volume [207.0695]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  4  0.1774  0.6774  0.0000  1.0
  Ni  Ni2  8  0.0692  0.2177  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  B  B4  4  0.1256  0.3744  0.0000  1.0
]