data_[Sr3P36Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.3136]
_cell_length_b [11.3136]
_cell_length_c [9.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr(P3Au)4]
_chemical_formula_sum '[Sr3 P36 Au12]'
_cell_volume [1009.1109]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.0000  1
  P  P1  18  0.0226  0.2003  0.3476  1
  P  P2  18  0.0602  0.5858  0.8538  1
  Au  Au3  9  0.0000  0.5000  0.5000  1
  Au  Au4  3  0.0000  0.0000  0.5000  1
]