data_[Ba6Ho2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.5441]
_cell_length_b [7.3867]
_cell_length_c [6.2639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ba3HoO4]
_chemical_formula_sum '[Ba6 Ho2 O8]'
_cell_volume [395.3342]
_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  0.2496  0.6648  0.0177  1.0
  Ba  Ba1  2  0.0000  0.8359  0.5187  1.0
  Ho  Ho2  2  0.0000  0.1694  0.0037  1.0
  O  O3  4  0.2146  0.3031  0.0991  1.0
  O  O4  2  0.0000  0.1577  0.6615  1.0
  O  O5  2  0.0000  0.8834  0.0979  1.0
]