data_[La12Pd2Pt4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9834]
_cell_length_b [4.3257]
_cell_length_c [9.2794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6PdPt2Br3]
_chemical_formula_sum '[La12 Pd2 Pt4 Br6]'
_cell_volume [754.0085]
_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  0.0123  0.0000  0.2262  1.0
  La  La1  4  0.1557  0.5000  0.1107  1.0
  La  La2  4  0.1787  0.5000  0.5551  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1661  0.0000  0.3315  1.0
  Br  Br5  4  0.1663  0.0000  0.8320  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]