data_[Tm4Sn4Au4Se12]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5540]
_cell_length_b [4.0428]
_cell_length_c [10.8833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmSnAuSe3]
_chemical_formula_sum '[Tm4 Sn4 Au4 Se12]'
_cell_volume [596.3664]
_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  0.0099  0.7500  0.3278  1
  Sn  Sn1  4  0.2197  0.7500  0.0519  1
  Au  Au2  4  0.0068  0.2500  0.0969  1
  Se  Se3  4  0.1083  0.7500  0.5595  1
  Se  Se4  4  0.1274  0.2500  0.8724  1
  Se  Se5  4  0.1494  0.2500  0.2571  1
]