data_[Li4Tl4Ga8Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5214]
_cell_length_b [8.6171]
_cell_length_c [12.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiTl(GaCl2)2]
_chemical_formula_sum '[Li4 Tl4 Ga8 Cl16]'
_cell_volume [894.2476]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.2500  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.2500  0.2500  0.7500  1
  Cl  Cl4  8  0.0000  0.0125  0.7024  1
  Cl  Cl5  8  0.2468  0.2500  0.9936  1
]