data_[La24Ge3Pd9Br12]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6445]
_cell_length_b [8.6445]
_cell_length_c [22.5145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8GePd3Br4]
_chemical_formula_sum '[La24 Ge3 Pd9 Br12]'
_cell_volume [1457.0389]
_cell_formula_units_Z [3]
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  18  0.0029  0.5014  0.2596  1
  La  La1  6  0.0000  0.0000  0.2634  1
  Ge  Ge2  3  -0.0000  -0.0000  0.0000  1
  Pd  Pd3  9  0.0000  0.5000  0.0000  1
  Br  Br4  9  0.0000  0.5000  0.5000  1
  Br  Br5  3  -0.0000  -0.0000  0.5000  1
]