data_[Ho2Al4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4244]
_cell_length_b [10.0464]
_cell_length_c [6.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(AlBr4)2]
_chemical_formula_sum '[Ho2 Al4 Br16]'
_cell_volume [904.8225]
_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  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.1922  0.0000  0.6475  1
  Br  Br2  8  0.0985  0.1789  0.7677  1
  Br  Br3  4  0.1405  0.5000  0.2258  1
  Br  Br4  4  0.1800  0.0000  0.2856  1
]