data_[Sm6P9Rh36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5184]
_cell_length_b [8.5184]
_cell_length_c [14.9975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2P3Rh12Au]
_chemical_formula_sum '[Sm6 P9 Rh36 Au3]'
_cell_volume [942.4659]
_cell_formula_units_Z [3]
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
[
  Sm  Sm0  6  0.0000  0.0000  0.3951  1
  P  P1  9  0.0000  0.5000  0.5000  1
  Rh  Rh2  18  0.0140  0.5070  0.3532  1
  Rh  Rh3  18  0.0536  0.5268  0.8609  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]