data_[Ba2Ho14Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.5578]
_cell_length_b [10.5578]
_cell_length_c [10.5578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [BaHo7Se12]
_chemical_formula_sum '[Ba2 Ho14 Se24]'
_cell_volume [1176.8344]
_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  2  0.0000  0.0000  0.0000  1
  Ho  Ho1  8  0.2500  0.2500  0.2500  1
  Ho  Ho2  6  0.0000  0.0000  0.5000  1
  Se  Se3  24  0.0000  0.3086  0.1825  1
]