data_[Ho2Bi2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3195]
_cell_length_b [3.8551]
_cell_length_c [7.7739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoBiI]
_chemical_formula_sum '[Ho2 Bi2 I2]'
_cell_volume [216.9647]
_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  1  0.0000  0.0000  0.5000  1
  Ho  Ho1  1  0.0000  0.5000  0.0000  1
  Bi  Bi2  2  0.2900  0.0000  0.8489  1
  I  I3  2  0.2610  0.5000  0.3517  1
]