data_[Sr4Tl12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1491]
_cell_length_b [4.6973]
_cell_length_c [12.4228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrTl3Au]
_chemical_formula_sum '[Sr4 Tl12 Au4]'
_cell_volume [592.2373]
_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  0.2061  0.2500  0.9958  1
  Tl  Tl1  4  0.0603  0.2500  0.6006  1
  Tl  Tl2  4  0.0926  0.7500  0.8037  1
  Tl  Tl3  4  0.1486  0.7500  0.2021  1
  Au  Au4  4  0.1275  0.2500  0.3662  1
]