data_[Ho2Bi2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9576]
_cell_length_b [3.9742]
_cell_length_c [8.1047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoBiS3]
_chemical_formula_sum '[Ho2 Bi2 S6]'
_cell_volume [255.4467]
_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  0.3361  0.2500  0.8627  1.0
  Bi  Bi1  2  0.2143  0.2500  0.4191  1.0
  S  S2  2  0.0243  0.2500  0.6822  1.0
  S  S3  2  0.3234  0.7500  0.0845  1.0
  S  S4  2  0.3848  0.7500  0.6287  1.0
]