data_[Li20Ge4As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.4589]
_cell_length_b [6.1723]
_cell_length_c [8.8990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li5GeAs3]
_chemical_formula_sum '[Li20 Ge4 As12]'
_cell_volume [699.2078]
_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  0.0032  0.2530  0.7500  1.0
  Li  Li1  4  0.1675  0.2722  0.5662  1.0
  Li  Li2  4  0.3228  0.2478  0.9065  1.0
  Li  Li3  4  0.3396  0.2395  0.4209  1.0
  Li  Li4  4  0.4976  0.2637  0.7558  1.0
  Ge  Ge5  4  0.1667  0.1931  0.1273  1.0
  As  As6  4  0.0043  0.0088  0.0043  1.0
  As  As7  4  0.1660  0.4813  0.3065  1.0
  As  As8  4  0.3296  0.0111  0.1584  1.0
]