data_[Ho3In6Ga3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0086]
_cell_length_b [8.0086]
_cell_length_c [20.3699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HoIn2GaBr6]
_chemical_formula_sum '[Ho3 In6 Ga3 Br18]'
_cell_volume [1131.4484]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.3224  1.0
  In  In1  3  0.0000  0.0000  0.0224  1.0
  In  In2  3  0.0000  0.0000  0.5297  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8143  1.0
  Br  Br4  9  0.0354  0.6211  0.0752  1.0
  Br  Br5  9  0.0792  0.3457  0.9156  1.0
]