data_[Ba4Ho2Th2O12]
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
  Th  1.3000  1.8000  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3015]
_cell_length_b [6.3059]
_cell_length_c [10.8872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2HoThO6]
_chemical_formula_sum '[Ba4 Ho2 Th2 O12]'
_cell_volume [353.5948]
_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  4  0.2403  0.5241  0.7492  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Th  Th2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1782  0.7234  0.4577  1
  O  O4  4  0.2321  0.2217  0.4568  1
  O  O5  4  0.3255  0.5186  0.2483  1
]