data_[Ba1Tm1Ga2Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P4/mmm]
_cell_length_a [5.0292]
_cell_length_b [5.0292]
_cell_length_c [8.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaTmGa2Au5]
_chemical_formula_sum '[Ba1 Tm1 Ga2 Au5]'
_cell_volume [225.0199]
_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  0.0000  0.0000  0.5000  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  2  0.5000  0.5000  0.2110  1
  Au  Au3  4  0.0000  0.5000  0.1749  1
  Au  Au4  1  0.5000  0.5000  0.5000  1
]