data_[K3Ho3Ga6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.8333]
_cell_length_b [7.8333]
_cell_length_c [20.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KHo(GaBr3)2]
_chemical_formula_sum '[K3 Ho3 Ga6 Br18]'
_cell_volume [1108.6488]
_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
[
  K  K0  3  0.0000  0.0000  0.8151  1.0
  Ho  Ho1  3  0.0000  0.0000  0.3244  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0102  1.0
  Ga  Ga3  3  0.0000  0.0000  0.5161  1.0
  Br  Br4  9  0.0454  0.3523  0.9206  1.0
  Br  Br5  9  0.0604  0.6801  0.0776  1.0
]