data_[La4Tm2Sc4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.5647]
_cell_length_b [11.5647]
_cell_length_c [3.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La2TmSc2Hg5]
_chemical_formula_sum '[La4 Tm2 Sc4 Hg10]'
_cell_volume [523.0944]
_cell_formula_units_Z [2]
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
[
  La  La0  4  0.1766  0.3234  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.1263  0.6263  0.0000  1
  Hg  Hg3  8  0.0646  0.8057  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
]