data_[Ba8Ho4Ni4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5384]
_cell_length_b [15.2762]
_cell_length_c [11.2814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoNiO5]
_chemical_formula_sum '[Ba8 Ho4 Ni4 O20]'
_cell_volume [609.8019]
_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  0.1128  0.6775  1.0
  Ba  Ba1  4  0.0000  0.1360  0.3295  1.0
  Ho  Ho2  4  0.0000  0.1991  0.0297  1.0
  Ni  Ni3  4  0.0000  0.4509  0.4333  1.0
  O  O4  4  0.0000  0.0389  0.0064  1.0
  O  O5  4  0.0000  0.2958  0.6557  1.0
  O  O6  4  0.0000  0.3274  0.3941  1.0
  O  O7  4  0.0000  0.3388  0.0080  1.0
  O  O8  4  0.0000  0.4966  0.7900  1.0
]