data_[La12Ge2Se4Cl6]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4924]
_cell_length_b [13.0413]
_cell_length_c [7.2277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GeSe2Cl3]
_chemical_formula_sum '[La12 Ge2 Se4 Cl6]'
_cell_volume [661.4751]
_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  8  0.2467  0.1652  0.2423  1.0
  La  La1  4  0.2490  0.5000  0.2416  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0000  0.3326  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1640  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]