data_[Ho3Tl3Ga6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5348]
_cell_length_b [7.5348]
_cell_length_c [19.9427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HoTl(GaCl3)2]
_chemical_formula_sum '[Ho3 Tl3 Ga6 Cl18]'
_cell_volume [980.5289]
_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  0.3235  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8118  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0111  1.0
  Ga  Ga3  3  0.0000  0.0000  0.5194  1.0
  Cl  Cl4  9  0.0490  0.3583  0.9219  1.0
  Cl  Cl5  9  0.0687  0.6829  0.0765  1.0
]