data_[La16Rh6N2Cl8]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1664]
_cell_length_b [8.0050]
_cell_length_c [8.9568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Rh3NCl4]
_chemical_formula_sum '[La16 Rh6 N2 Cl8]'
_cell_volume [862.8956]
_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  8  0.0075  0.2277  0.3028  1.0
  La  La1  4  0.2318  0.0000  0.7046  1.0
  La  La2  4  0.2385  0.5000  0.7097  1.0
  Rh  Rh3  4  0.2500  0.2500  0.5000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl6  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl7  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl8  2  0.0000  0.5000  0.0000  1.0
]