data_[Li6Sm3Ga3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.2351]
_cell_length_b [7.2351]
_cell_length_c [19.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2SmGaBr6]
_chemical_formula_sum '[Li6 Sm3 Ga3 Br18]'
_cell_volume [897.4324]
_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  0.4865  1.0
  Li  Li1  3  0.0000  0.0000  0.9903  1.0
  Sm  Sm2  3  0.0000  0.0000  0.6793  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1896  1.0
  Br  Br4  9  0.0037  0.3526  0.7470  1.0
  Br  Br5  9  0.0089  0.6134  0.2504  1.0
]