data_[Li2Tl6Ga4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2887]
_cell_length_b [14.2360]
_cell_length_c [8.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl3(GaI3)2]
_chemical_formula_sum '[Li2 Tl6 Ga4 I12]'
_cell_volume [938.1510]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1708  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  4  0.0000  0.3339  0.0000  1.0
  I  I4  8  0.2286  0.1571  0.2166  1.0
  I  I5  4  0.2407  0.0000  0.7708  1.0
]