data_[Ho4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8259]
_cell_length_b [10.5920]
_cell_length_c [10.9634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HoPbBr5]
_chemical_formula_sum '[Ho4 Pb4 Br20]'
_cell_volume [1124.6084]
_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  0.2500  0.2500  0.5000  1
  Pb  Pb1  4  0.0000  0.4193  0.7500  1
  Br  Br2  8  0.0979  0.2103  0.6443  1
  Br  Br3  8  0.2321  0.4915  0.0242  1
  Br  Br4  4  0.0000  0.2654  0.2500  1
]