data_[Ho4Bi4Se12]
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 [Cmc2_1]
_cell_length_a [4.1352]
_cell_length_b [21.3629]
_cell_length_c [7.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoBiSe3]
_chemical_formula_sum '[Ho4 Bi4 Se12]'
_cell_volume [638.4742]
_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
[
  Ho  Ho0  4  0.0000  0.3325  0.5092  1
  Bi  Bi1  4  0.0000  0.1510  0.5087  1
  Se  Se2  4  0.0000  0.0947  0.1596  1
  Se  Se3  4  0.0000  0.2486  0.8370  1
  Se  Se4  4  0.0000  0.4138  0.1914  1
]