data_[Tm4In4Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8009]
_cell_length_b [16.8058]
_cell_length_c [6.8654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tm2In2Hg7]
_chemical_formula_sum '[Tm4 In4 Hg14]'
_cell_volume [553.9156]
_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  0.0000  0.2901  0.3723  1.0
  In  In1  2  0.0000  0.0000  0.3721  1.0
  In  In2  2  0.0000  0.5000  0.1778  1.0
  Hg  Hg3  4  0.0000  0.1344  0.6581  1.0
  Hg  Hg4  4  0.0000  0.1374  0.0948  1.0
  Hg  Hg5  4  0.0000  0.3327  0.8769  1.0
  Hg  Hg6  2  0.0000  0.5000  0.5919  1.0
]