data_[Sr6Mg36Sc3Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.7404]
_cell_length_b [10.7404]
_cell_length_c [14.4578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Mg12ScHg3]
_chemical_formula_sum '[Sr6 Mg36 Sc3 Hg9]'
_cell_volume [1444.3641]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.3631  1
  Mg  Mg1  18  0.0122  0.5061  0.6932  1
  Mg  Mg2  18  0.0230  0.5115  0.8943  1
  Sc  Sc3  3  0.0000  0.0000  0.0000  1
  Hg  Hg4  9  0.0000  0.5000  0.5000  1
]