data_[Sr4In4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2366]
_cell_length_b [5.1890]
_cell_length_c [9.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrInAu3]
_chemical_formula_sum '[Sr4 In4 Au12]'
_cell_volume [473.2421]
_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  0.2305  0.2500  0.0020  1
  In  In1  4  0.0869  0.2500  0.3443  1
  Au  Au2  4  0.0812  0.2500  0.6275  1
  Au  Au3  4  0.1002  0.7500  0.1503  1
  Au  Au4  4  0.1095  0.7500  0.8590  1
]