data_[Ca2Ho2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Pmn2_1]
_cell_length_a [7.4364]
_cell_length_b [5.4814]
_cell_length_c [5.2759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaHo(NiO3)2]
_chemical_formula_sum '[Ca2 Ho2 Ni4 O12]'
_cell_volume [215.0556]
_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
[
  Ca  Ca0  2  0.0000  0.1914  0.4873  1
  Ho  Ho1  2  0.0000  0.6829  0.0187  1
  Ni  Ni2  4  0.2497  0.7548  0.5008  1
  O  O3  4  0.2011  0.9482  0.1953  1
  O  O4  4  0.2034  0.4620  0.2921  1
  O  O5  2  0.0000  0.2820  0.9149  1
  O  O6  2  0.0000  0.7733  0.6025  1
]