data_[Sr2Nb2Au2]
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 [Pmmn]
_cell_length_a [3.5882]
_cell_length_b [4.5109]
_cell_length_c [9.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SrNbAu]
_chemical_formula_sum '[Sr2 Nb2 Au2]'
_cell_volume [151.7713]
_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  0.0000  0.5000  0.3502  1
  Nb  Nb1  2  0.0000  0.0000  0.0125  1
  Au  Au2  2  0.0000  0.5000  0.7611  1
]