data_[Tm4Hg2Se1S1]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6677]
_cell_length_b [3.8413]
_cell_length_c [7.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Hg2SeS]
_chemical_formula_sum '[Tm4 Hg2 Se1 S1]'
_cell_volume [194.1725]
_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  2  0.2326  0.5000  0.2195  1
  Tm  Tm1  2  0.2512  0.0000  0.7753  1
  Hg  Hg2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  1  0.5000  0.0000  0.5000  1
  Se  Se4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]