data_[Tm4Sn4Te12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8646]
_cell_length_b [4.3474]
_cell_length_c [12.6486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmSnTe3Au]
_chemical_formula_sum '[Tm4 Sn4 Te12 Au4]'
_cell_volume [707.4073]
_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
[
  Tm  Tm0  4  0.0414  0.2500  0.1893  1
  Sn  Sn1  4  0.2003  0.2500  0.4665  1
  Te  Te2  4  0.0233  0.7500  0.3621  1
  Te  Te3  4  0.0872  0.2500  0.9327  1
  Te  Te4  4  0.2260  0.7500  0.6697  1
  Au  Au5  4  0.2322  0.7500  0.3083  1
]