data_[Tm4Hg3Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8705]
_cell_length_b [4.7688]
_cell_length_c [11.5810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4Hg3Pb]
_chemical_formula_sum '[Tm4 Hg3 Pb1]'
_cell_volume [213.7610]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1507  1.0
  Tm  Tm1  1  0.0000  0.5000  0.8522  1.0
  Tm  Tm2  1  0.5000  0.0000  0.6392  1.0
  Tm  Tm3  1  0.5000  0.5000  0.3657  1.0
  Hg  Hg4  1  0.0000  0.0000  0.4117  1.0
  Hg  Hg5  1  0.0000  0.5000  0.5897  1.0
  Hg  Hg6  1  0.5000  0.0000  0.9027  1.0
  Pb  Pb7  1  0.5000  0.5000  0.0883  1.0
]