data_[Ho2Bi6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1812]
_cell_length_b [4.1228]
_cell_length_c [12.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(BiSe2)3]
_chemical_formula_sum '[Ho2 Bi6 Se12]'
_cell_volume [587.7564]
_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  0.3126  0.2500  0.9629  1.0
  Bi  Bi1  2  0.0950  0.7500  0.1506  1.0
  Bi  Bi2  2  0.1633  0.2500  0.5693  1.0
  Bi  Bi3  2  0.4740  0.7500  0.7017  1.0
  Se  Se4  2  0.0851  0.7500  0.4071  1.0
  Se  Se5  2  0.1159  0.7500  0.9303  1.0
  Se  Se6  2  0.2572  0.2500  0.1897  1.0
  Se  Se7  2  0.2751  0.7500  0.7707  1.0
  Se  Se8  2  0.3839  0.2500  0.5352  1.0
  Se  Se9  2  0.4647  0.7500  0.0985  1.0
]