data_[Tm6Ag2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.2765]
_cell_length_b [3.5772]
_cell_length_c [9.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tm3AgHg]
_chemical_formula_sum '[Tm6 Ag2 Hg2]'
_cell_volume [264.7378]
_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  1  0.1713  0.5000  0.5756  1
  Tm  Tm1  1  0.3499  0.0000  0.9691  1
  Tm  Tm2  1  0.3619  0.0000  0.3505  1
  Tm  Tm3  1  0.7406  0.5000  0.9255  1
  Tm  Tm4  1  0.7978  0.0000  0.5773  1
  Tm  Tm5  1  0.9152  0.0000  0.2652  1
  Ag  Ag6  1  0.0363  0.5000  0.8184  1
  Ag  Ag7  1  0.1279  0.5000  0.1301  1
  Hg  Hg8  1  0.4935  0.0000  0.6957  1
  Hg  Hg9  1  0.5998  0.5000  0.2282  1
]