data_[Ho4H4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6623]
_cell_length_b [7.4755]
_cell_length_c [13.0861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HoHBr3]
_chemical_formula_sum '[Ho4 H4 Br12]'
_cell_volume [713.5289]
_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  0.0001  0.2500  0.4159  1
  H  H1  4  0.0516  0.2424  0.7592  1
  Br  Br2  4  0.2402  0.0285  0.0219  1
  Br  Br3  4  0.2403  0.4711  0.5646  1
  Br  Br4  4  0.2453  0.2502  0.2940  1
]