data_[Sr4Nb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9353]
_cell_length_b [4.5069]
_cell_length_c [6.6572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNbAu]
_chemical_formula_sum '[Sr4 Nb4 Au4]'
_cell_volume [336.2006]
_cell_formula_units_Z [4]
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  2  0.0817  0.5000  0.8812  1
  Sr  Sr1  2  0.2964  0.5000  0.4896  1
  Nb  Nb2  2  0.0681  0.0000  0.4115  1
  Nb  Nb3  2  0.4767  0.0000  0.3112  1
  Au  Au4  2  0.2625  0.0000  0.8074  1
  Au  Au5  2  0.3908  0.5000  0.0165  1
]