data_[La12Ag2Ge4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0993]
_cell_length_b [4.4484]
_cell_length_c [8.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AgGe2Br3]
_chemical_formula_sum '[La12 Ag2 Ge4 Br6]'
_cell_volume [735.0612]
_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  0.0067  0.0000  0.2518  1.0
  La  La1  4  0.1658  0.5000  0.1030  1.0
  La  La2  4  0.1715  0.5000  0.5718  1.0
  Ag  Ag3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1663  0.0000  0.3347  1.0
  Br  Br5  4  0.1665  0.0000  0.8346  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]