data_[Tm16Sc4Hg2]
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 [C2/m]
_cell_length_a [18.7384]
_cell_length_b [5.3821]
_cell_length_c [6.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sc2Hg]
_chemical_formula_sum '[Tm16 Sc4 Hg2]'
_cell_volume [620.8358]
_cell_formula_units_Z [2]
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  0.0453  0.0000  0.2644  1.0
  Tm  Tm1  4  0.0798  0.5000  0.6005  1.0
  Tm  Tm2  4  0.1577  0.0000  0.7931  1.0
  Tm  Tm3  4  0.1622  0.5000  0.1254  1.0
  Sc  Sc4  4  0.2434  0.0000  0.3375  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]