data_[Li2Ge1Te4As1]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0954]
_cell_length_b [4.0973]
_cell_length_c [7.4101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2GeTe4As]
_chemical_formula_sum '[Li2 Ge1 Te4 As1]'
_cell_volume [204.1924]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  Te  Te3  2  0.2491  0.5000  0.2427  1
  Te  Te4  2  0.2566  0.0000  0.7589  1
  As  As5  1  0.5000  0.5000  0.0000  1
]