data_[Ho8C4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9213]
_cell_length_b [3.7499]
_cell_length_c [7.9670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4C2Br5]
_chemical_formula_sum '[Ho8 C4 Br10]'
_cell_volume [550.7413]
_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  4  0.0016  0.0000  0.6966  1.0
  Ho  Ho1  4  0.1548  0.5000  0.5888  1.0
  C  C2  4  0.0386  0.5000  0.5196  1.0
  Br  Br3  4  0.1606  0.0000  0.8575  1.0
  Br  Br4  4  0.1719  0.0000  0.3261  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
]