data_[Ba2Y2Ni8O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.3474]
_cell_length_b [6.3474]
_cell_length_c [10.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [BaYNi4O7]
_chemical_formula_sum '[Ba2 Y2 Ni8 O14]'
_cell_volume [364.8296]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.9941  1
  Y  Y1  2  0.3333  0.6667  0.3838  1
  Ni  Ni2  6  0.1722  0.3444  0.6903  1
  Ni  Ni3  2  0.0000  0.0000  0.4420  1
  O  O4  6  0.0098  0.5049  0.7581  1
  O  O5  6  0.1648  0.3296  0.5080  1
  O  O6  2  0.0000  0.0000  0.2450  1
]