data_[La12Si2Ge4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7331]
_cell_length_b [4.3928]
_cell_length_c [8.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SiGe2Cl3]
_chemical_formula_sum '[La12 Si2 Ge4 Cl6]'
_cell_volume [689.9802]
_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  0.0025  0.0000  0.2380  1.0
  La  La1  4  0.1618  0.5000  0.0893  1.0
  La  La2  4  0.1696  0.5000  0.5743  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1668  0.0000  0.3330  1.0
  Cl  Cl5  4  0.1672  0.0000  0.8329  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]