data_[Ho2Bi2Se6]
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 [7.1707]
_cell_length_b [4.1448]
_cell_length_c [10.7642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoBiSe3]
_chemical_formula_sum '[Ho2 Bi2 Se6]'
_cell_volume [312.4915]
_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  0.2657  0.2500  0.0196  1
  Bi  Bi1  2  0.1386  0.2500  0.6510  1
  Se  Se2  2  0.0500  0.7500  0.8574  1
  Se  Se3  2  0.2502  0.7500  0.5022  1
  Se  Se4  2  0.4815  0.7500  0.1577  1
]