data_[Tm9Ni24Hg3]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9732]
_cell_length_b [4.9732]
_cell_length_c [24.4669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3Ni8Hg]
_chemical_formula_sum '[Tm9 Ni24 Hg3]'
_cell_volume [524.0620]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0061  1
  Tm  Tm1  3  0.0000  0.0000  0.4945  1
  Tm  Tm2  3  0.0000  0.0000  0.6232  1
  Ni  Ni3  9  0.0007  0.5003  0.5634  1
  Ni  Ni4  9  0.1686  0.3372  0.3946  1
  Ni  Ni5  3  0.0000  0.0000  0.3121  1
  Ni  Ni6  3  0.0000  0.0000  0.8126  1
  Hg  Hg7  3  0.0000  0.0000  0.1274  1
]