data_[La12Si2Ge4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2857]
_cell_length_b [4.4166]
_cell_length_c [8.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SiGe2Se3]
_chemical_formula_sum '[La12 Si2 Ge4 Se6]'
_cell_volume [735.6172]
_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  0.0021  0.0000  0.2418  1.0
  La  La1  4  0.1635  0.5000  0.0883  1.0
  La  La2  4  0.1687  0.5000  0.5776  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1666  0.0000  0.3331  1.0
  Se  Se5  4  0.1668  0.0000  0.8333  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]