data_[Sr6Tm3Ga9Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8227]
_cell_length_b [6.8227]
_cell_length_c [31.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Tm(GaAu4)3]
_chemical_formula_sum '[Sr6 Tm3 Ga9 Au36]'
_cell_volume [1271.2235]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3625  1
  Tm  Tm1  3  0.0000  0.0000  0.0000  1
  Ga  Ga2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0396  0.5198  0.3915  1
  Au  Au4  18  0.0586  0.5293  0.1220  1
]