data_[Ca4Ho2Nb2O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6371]
_cell_length_b [5.8662]
_cell_length_c [9.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2HoNbO6]
_chemical_formula_sum '[Ca4 Ho2 Nb2 O12]'
_cell_volume [268.6623]
_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  4  0.2686  0.5534  0.7536  1.0
  Ho  Ho1  2  0.5000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1224  0.5480  0.2354  1.0
  O  O4  4  0.2472  0.2133  0.0657  1.0
  O  O5  4  0.3456  0.6861  0.0549  1.0
]