data_[Sr4Bi4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.6633]
_cell_length_b [6.6712]
_cell_length_c [9.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SrBiAu]
_chemical_formula_sum '[Sr4 Bi4 Au4]'
_cell_volume [380.4981]
_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  4  0.1641  0.1317  0.5350  1.0
  Bi  Bi1  4  0.2444  0.3650  0.2062  1.0
  Au  Au2  4  0.1136  0.3460  0.8784  1.0
]