data_[Ba6Sr1Pt1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5793]
_cell_length_b [8.1847]
_cell_length_c [8.2797]
_cell_angle_alpha [110.2199]
_cell_angle_beta [93.2829]
_cell_angle_gamma [96.4243]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba6SrPtAu]
_chemical_formula_sum '[Ba6 Sr1 Pt1 Au1]'
_cell_volume [476.3992]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.1906  0.8891  0.4528  1.0
  Ba  Ba1  1  0.2311  0.3962  0.4393  1.0
  Ba  Ba2  1  0.2654  0.5802  0.9730  1.0
  Ba  Ba3  1  0.6824  0.0351  0.3631  1.0
  Ba  Ba4  1  0.7091  0.6911  0.6838  1.0
  Ba  Ba5  1  0.7352  0.4135  0.0874  1.0
  Sr  Sr6  1  0.2353  0.0706  0.9533  1.0
  Pt  Pt7  1  0.4909  0.6598  0.3313  1.0
  Au  Au8  1  0.4597  0.2646  0.7160  1.0
]