data_[Tm1Ga1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [3.7456]
_cell_length_b [3.5816]
_cell_length_c [8.8696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmGaAu4]
_chemical_formula_sum '[Tm1 Ga1 Au4]'
_cell_volume [118.0414]
_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
[
  Tm  Tm0  1  0.5000  0.0000  0.0000  1.0
  Ga  Ga1  1  0.0000  0.5000  0.5000  1.0
  Au  Au2  2  0.0519  0.5000  0.1749  1.0
  Au  Au3  2  0.4168  0.0000  0.6579  1.0
]