data_[La12Pt6Rh4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4483]
_cell_length_b [4.2120]
_cell_length_c [8.7089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Pt3Rh2Br]
_chemical_formula_sum '[La12 Pt6 Rh4 Br2]'
_cell_volume [660.5306]
_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  0.0095  0.0000  0.2761  1
  La  La1  4  0.1680  0.5000  0.5801  1
  La  La2  4  0.1789  0.5000  0.0983  1
  Pt  Pt3  4  0.1585  0.0000  0.8347  1
  Rh  Rh4  4  0.1662  0.0000  0.3311  1
  Pt  Pt5  2  0.0000  0.5000  0.5000  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]