data_[Ho3Br1Cl7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.8938]
_cell_length_b [7.8938]
_cell_length_c [18.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3BrCl7]
_chemical_formula_sum '[Ho3 Br1 Cl7]'
_cell_volume [987.9976]
_cell_formula_units_Z [1]
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  3  0.1661  0.3322  0.5011  1
  Br  Br1  1  0.3333  0.6667  0.4050  1
  Cl  Cl2  3  0.0191  0.5096  0.5796  1
  Cl  Cl3  3  0.3151  0.1575  0.4224  1
  Cl  Cl4  1  0.0000  0.0000  0.5857  1
]