data_[Ba8Ho4Sc4O20]
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
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6299]
_cell_length_b [14.0857]
_cell_length_c [12.1723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoScO5]
_chemical_formula_sum '[Ba8 Ho4 Sc4 O20]'
_cell_volume [622.3697]
_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  0.0918  0.6741  1.0
  Ba  Ba1  4  0.0000  0.1519  0.3053  1.0
  Ho  Ho2  4  0.0000  0.2152  0.0241  1.0
  Sc  Sc3  4  0.0000  0.4721  0.4484  1.0
  O  O4  4  0.0000  0.0508  0.0235  1.0
  O  O5  4  0.0000  0.2756  0.6484  1.0
  O  O6  4  0.0000  0.3184  0.4133  1.0
  O  O7  4  0.0000  0.3748  0.9957  1.0
  O  O8  4  0.0000  0.4920  0.7913  1.0
]