data_[Tm4In2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0554]
_cell_length_b [3.4744]
_cell_length_c [9.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4In2Hg5]
_chemical_formula_sum '[Tm4 In2 Hg5]'
_cell_volume [276.3961]
_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  0.1860  0.5000  0.8959  1.0
  Tm  Tm1  2  0.2737  0.5000  0.4254  1.0
  In  In2  2  0.0764  0.0000  0.6379  1.0
  Hg  Hg3  2  0.1600  0.0000  0.1533  1.0
  Hg  Hg4  2  0.4509  0.0000  0.6878  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]