data_[Li2Ge2Te8Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5174]
_cell_length_b [8.8820]
_cell_length_c [8.9232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiGeTe4Au3]
_chemical_formula_sum '[Li2 Ge2 Te8 Au6]'
_cell_volume [509.0308]
_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  0.2603  0.7500  0.3741  1
  Ge  Ge1  2  0.2445  0.2500  0.2453  1
  Te  Te2  4  0.4884  0.5046  0.7183  1
  Te  Te3  2  0.0160  0.7500  0.0559  1
  Te  Te4  2  0.1485  0.2500  0.5306  1
  Au  Au5  4  0.3057  0.5746  0.9626  1
  Au  Au6  2  0.2101  0.7500  0.6708  1
]