data_[Ho8Ni2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4636]
_cell_length_b [3.9155]
_cell_length_c [8.4065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4NiBr5]
_chemical_formula_sum '[Ho8 Ni2 Br10]'
_cell_volume [593.2843]
_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  0.0010  0.0000  0.2116  1
  Ho  Ho1  4  0.1451  0.5000  0.0762  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1680  0.0000  0.3352  1
  Br  Br4  4  0.1783  0.0000  0.8403  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]