data_[La12Ge2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [19.7113]
_cell_length_b [4.4642]
_cell_length_c [9.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GeTe3As2]
_chemical_formula_sum '[La12 Ge2 Te6 As4]'
_cell_volume [771.1564]
_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
[
  La  La0  4  0.0050  0.0000  0.2352  1
  La  La1  4  0.1603  0.5000  0.0962  1
  La  La2  4  0.1721  0.5000  0.5694  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1673  0.0000  0.8329  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  As  As6  4  0.1674  0.0000  0.3348  1
]