data_[La10Rh2Br10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3362]
_cell_length_b [6.1292]
_cell_length_c [8.9195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5RhBr5]
_chemical_formula_sum '[La10 Rh2 Br10]'
_cell_volume [684.8306]
_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  0.1460  0.0000  0.2880  1
  La  La1  4  0.1745  0.0000  0.8594  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1472  0.5000  0.7934  1
  Br  Br5  4  0.1709  0.5000  0.3591  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]