data_[La12P4Rh2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6917]
_cell_length_b [4.1436]
_cell_length_c [8.6834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6P2RhCl3]
_chemical_formula_sum '[La12 P4 Rh2 Cl6]'
_cell_volume [655.3715]
_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  0.0062  0.0000  0.2266  1.0
  La  La1  4  0.1648  0.5000  0.0996  1.0
  La  La2  4  0.1731  0.5000  0.5689  1.0
  P  P3  4  0.1672  0.0000  0.3343  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1659  0.0000  0.8296  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]