data_[Li3Ca6Ag3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2015]
_cell_length_b [7.2015]
_cell_length_c [19.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiCa2AgBr6]
_chemical_formula_sum '[Li3 Ca6 Ag3 Br18]'
_cell_volume [887.9431]
_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  0.6790  1
  Ca  Ca1  3  0.0000  0.0000  0.4865  1
  Ca  Ca2  3  0.0000  0.0000  0.9905  1
  Ag  Ag3  3  0.0000  0.0000  0.1821  1
  Br  Br4  9  0.0223  0.3383  0.7486  1
  Br  Br5  9  0.0293  0.6707  0.2515  1
]