data_[Tm4Sc12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6507]
_cell_length_b [8.9813]
_cell_length_c [8.5664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmSc3Hg]
_chemical_formula_sum '[Tm4 Sc12 Hg4]'
_cell_volume [511.6861]
_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  0.2072  0.7500  0.1467  1
  Sc  Sc1  8  0.1102  0.5457  0.8325  1
  Sc  Sc2  4  0.2265  0.2500  0.0277  1
  Hg  Hg3  4  0.0000  0.0000  0.5000  1
]