data_[La12Pt4Rh6Br2]
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 [18.6816]
_cell_length_b [4.1925]
_cell_length_c [8.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Pt2Rh3Br]
_chemical_formula_sum '[La12 Pt4 Rh6 Br2]'
_cell_volume [656.5671]
_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  0.0034  0.0000  0.7229  1.0
  La  La1  4  0.1679  0.5000  0.5842  1.0
  La  La2  4  0.1785  0.5000  0.0815  1.0
  Rh  Rh3  4  0.1626  0.0000  0.8277  1.0
  Pt  Pt4  4  0.1643  0.0000  0.3271  1.0
  Rh  Rh5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]