data_[La12Rh6Br2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7396]
_cell_length_b [4.1631]
_cell_length_c [9.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Rh3BrCl2]
_chemical_formula_sum '[La12 Rh6 Br2 Cl4]'
_cell_volume [705.1564]
_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  0.0107  0.0000  0.7203  1.0
  La  La1  4  0.1572  0.5000  0.6084  1.0
  La  La2  4  0.1782  0.5000  0.0564  1.0
  Rh  Rh3  4  0.1668  0.0000  0.8314  1.0
  Rh  Rh4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1672  0.0000  0.3337  1.0
]