data_[Li6Ho3Ga3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1650]
_cell_length_b [7.1650]
_cell_length_c [19.7738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2HoGaBr6]
_chemical_formula_sum '[Li6 Ho3 Ga3 Br18]'
_cell_volume [879.1204]
_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
[
  Li  Li0  3  0.0000  0.0000  0.4853  1.0
  Li  Li1  3  0.0000  0.0000  0.9926  1.0
  Ho  Ho2  3  0.0000  0.0000  0.6764  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1886  1.0
  Br  Br4  9  0.0019  0.3403  0.7465  1.0
  Br  Br5  9  0.0108  0.6171  0.2519  1.0
]