data_[Sc4Hg2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8740]
_cell_length_b [3.5871]
_cell_length_c [8.2022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2HgCl]
_chemical_formula_sum '[Sc4 Hg2 Cl2]'
_cell_volume [169.5956]
_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
[
  Sc  Sc0  2  0.3060  0.2500  0.8797  1
  Sc  Sc1  2  0.3247  0.2500  0.3477  1
  Hg  Hg2  2  0.1757  0.7500  0.6012  1
  Cl  Cl3  2  0.2214  0.7500  0.1035  1
]