data_[Tm4Hg1Pb3]
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 [4.3703]
_cell_length_b [4.4402]
_cell_length_c [11.4922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4HgPb3]
_chemical_formula_sum '[Tm4 Hg1 Pb3]'
_cell_volume [223.0040]
_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  0.1288  1.0
  Tm  Tm1  1  0.0000  0.5000  0.8724  1.0
  Tm  Tm2  1  0.5000  0.0000  0.6311  1.0
  Tm  Tm3  1  0.5000  0.5000  0.3622  1.0
  Hg  Hg4  1  0.5000  0.5000  0.0971  1.0
  Pb  Pb5  1  0.0000  0.0000  0.3976  1.0
  Pb  Pb6  1  0.0000  0.5000  0.6035  1.0
  Pb  Pb7  1  0.5000  0.0000  0.9073  1.0
]