data_[Li2Tl4Ga4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1367]
_cell_length_b [4.6154]
_cell_length_c [8.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl2(GaTe2)2]
_chemical_formula_sum '[Li2 Tl4 Ga4 Te8]'
_cell_volume [584.3890]
_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  0.1200  0.0000  0.5673  1.0
  Ga  Ga2  4  0.1682  0.5000  0.9867  1.0
  Te  Te3  4  0.0177  0.5000  0.7574  1.0
  Te  Te4  4  0.2018  0.0000  0.1795  1.0
]