data_[K3Sm3Ga6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8776]
_cell_length_b [7.8776]
_cell_length_c [21.0218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KSm(GaBr3)2]
_chemical_formula_sum '[K3 Sm3 Ga6 Br18]'
_cell_volume [1129.7818]
_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  0.1863  1
  Sm  Sm1  3  0.0000  0.0000  0.6766  1
  Ga  Ga2  3  0.0000  0.0000  0.4843  1
  Ga  Ga3  3  0.0000  0.0000  0.9893  1
  Br  Br4  9  0.0098  0.3707  0.4132  1
  Br  Br5  9  0.0189  0.7277  0.5871  1
]