data_[Li6Ag3As3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9168]
_cell_length_b [6.9168]
_cell_length_c [19.0701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2AgAsBr6]
_chemical_formula_sum '[Li6 Ag3 As3 Br18]'
_cell_volume [790.1210]
_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  0.0017  1.0
  Li  Li1  3  0.0000  0.0000  0.5173  1.0
  Ag  Ag2  3  0.0000  0.0000  0.8167  1.0
  As  As3  3  0.0000  0.0000  0.3290  1.0
  Br  Br4  9  0.0046  0.3496  0.5847  1.0
  Br  Br5  9  0.0372  0.6841  0.0810  1.0
]