data_[Sr4Pd2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2285]
_cell_length_b [4.6479]
_cell_length_c [8.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2PdAu]
_chemical_formula_sum '[Sr4 Pd2 Au2]'
_cell_volume [233.6225]
_cell_formula_units_Z [2]
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  0.2212  0.7500  0.4334  1.0
  Sr  Sr1  2  0.2250  0.7500  0.9282  1.0
  Pd  Pd2  2  0.3532  0.2500  0.7136  1.0
  Au  Au3  2  0.3472  0.2500  0.2125  1.0
]