data_[Ba4Zn12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5227]
_cell_length_b [7.9442]
_cell_length_c [5.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaZn3Ni2]
_chemical_formula_sum '[Ba4 Zn12 Ni8]'
_cell_volume [438.4468]
_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
[
  Ba  Ba0  4  0.0000  0.3392  0.2500  1.0
  Zn  Zn1  8  0.2035  0.2702  0.7500  1.0
  Zn  Zn2  4  0.0000  0.0675  0.7500  1.0
  Ni  Ni3  8  0.1964  0.0000  0.0000  1.0
]