data_[Tm12In6Hg2]
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 [P2_1/m]
_cell_length_a [9.1571]
_cell_length_b [5.2741]
_cell_length_c [11.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6In3Hg]
_chemical_formula_sum '[Tm12 In6 Hg2]'
_cell_volume [530.4011]
_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  2  0.0970  0.7500  0.8783  1
  Tm  Tm1  2  0.1393  0.7500  0.1720  1
  Tm  Tm2  2  0.1569  0.2500  0.6932  1
  Tm  Tm3  2  0.2403  0.7500  0.4984  1
  Tm  Tm4  2  0.3383  0.2500  0.3289  1
  Tm  Tm5  2  0.4604  0.7500  0.0852  1
  In  In6  2  0.2215  0.2500  0.0297  1
  In  In7  2  0.3798  0.7500  0.7858  1
  In  In8  2  0.4735  0.2500  0.6198  1
  Hg  Hg9  2  0.0443  0.2500  0.3926  1
]