data_[Sc4Cd2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9490]
_cell_length_b [8.6735]
_cell_length_c [6.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sc2CdHg3]
_chemical_formula_sum '[Sc4 Cd2 Hg6]'
_cell_volume [261.5088]
_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  0.0000  0.3283  0.2783  1
  Sc  Sc1  2  0.5000  0.1627  0.7227  1
  Cd  Cd2  2  0.5000  0.4977  0.0062  1
  Hg  Hg3  2  0.0000  0.0009  0.9960  1
  Hg  Hg4  2  0.0000  0.3393  0.7733  1
  Hg  Hg5  2  0.5000  0.1710  0.2234  1
]