data_[Ba2Ho2Au2Se6]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6519]
_cell_length_b [4.2385]
_cell_length_c [9.6366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHoAuSe3]
_chemical_formula_sum '[Ba2 Ho2 Au2 Se6]'
_cell_volume [339.5453]
_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  0.2071  0.2500  0.2521  1.0
  Ho  Ho1  2  0.3203  0.7500  0.8382  1.0
  Au  Au2  2  0.1006  0.2500  0.5919  1.0
  Se  Se3  2  0.1012  0.2500  0.8684  1.0
  Se  Se4  2  0.2640  0.7500  0.5313  1.0
  Se  Se5  2  0.4470  0.7500  0.1493  1.0
]