data_[Nd12P4Rh2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [18.5023]
_cell_length_b [4.0570]
_cell_length_c [8.7110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6P2RhCl3]
_chemical_formula_sum '[Nd12 P4 Rh2 Cl6]'
_cell_volume [634.6777]
_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
[
  Nd  Nd0  4  0.0076  0.0000  0.2254  1.0
  Nd  Nd1  4  0.1601  0.5000  0.1060  1.0
  Nd  Nd2  4  0.1755  0.5000  0.5626  1.0
  P  P3  4  0.1669  0.0000  0.3352  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1689  0.0000  0.8292  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]