data_[Tm4Sn3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2924]
_cell_length_b [4.4075]
_cell_length_c [11.2958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4Sn3Hg]
_chemical_formula_sum '[Tm4 Sn3 Hg1]'
_cell_volume [213.7014]
_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  0.8672  1.0
  Tm  Tm1  1  0.0000  0.5000  0.3652  1.0
  Tm  Tm2  1  0.5000  0.0000  0.1353  1.0
  Tm  Tm3  1  0.5000  0.5000  0.6371  1.0
  Sn  Sn4  1  0.0000  0.0000  0.5947  1.0
  Sn  Sn5  1  0.0000  0.5000  0.0884  1.0
  Sn  Sn6  1  0.5000  0.0000  0.4052  1.0
  Hg  Hg7  1  0.5000  0.5000  0.9067  1.0
]