data_[Ho2Sc6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [6.5887]
_cell_length_b [6.0349]
_cell_length_c [5.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [HoSc3O]
_chemical_formula_sum '[Ho2 Sc6 O2]'
_cell_volume [207.8796]
_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
[
  Ho  Ho0  2  0.0000  0.8436  0.0779  1
  Sc  Sc1  4  0.2466  0.3698  0.0761  1
  Sc  Sc2  2  0.0000  0.1885  0.5646  1
  O  O3  2  0.0000  0.5039  0.3280  1
]