data_[La12Ge4Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2288]
_cell_length_b [4.4311]
_cell_length_c [8.8421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2SbSe3]
_chemical_formula_sum '[La12 Ge4 Sb2 Se6]'
_cell_volume [734.9680]
_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  0.0036  0.0000  0.2587  1
  La  La1  4  0.1693  0.5000  0.5782  1
  La  La2  4  0.1699  0.5000  0.0942  1
  Ge  Ge3  4  0.1667  0.0000  0.3334  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1649  0.0000  0.8333  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]