data_[Tm4Ni1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6727]
_cell_length_b [4.5871]
_cell_length_c [10.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4NiAu3]
_chemical_formula_sum '[Tm4 Ni1 Au3]'
_cell_volume [178.1571]
_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  0.0000  0.0000  0.1361  1
  Tm  Tm1  1  0.0000  0.5000  0.8725  1
  Tm  Tm2  1  0.5000  0.0000  0.6421  1
  Tm  Tm3  1  0.5000  0.5000  0.3465  1
  Ni  Ni4  1  0.5000  0.5000  0.0818  1
  Au  Au5  1  0.0000  0.0000  0.4105  1
  Au  Au6  1  0.0000  0.5000  0.5904  1
  Au  Au7  1  0.5000  0.0000  0.9201  1
]