data_[Sc16Ga4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9095]
_cell_length_b [4.8136]
_cell_length_c [7.6986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ga2Hg]
_chemical_formula_sum '[Sc16 Ga4 Hg2]'
_cell_volume [482.3833]
_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  4  0.0608  0.0000  0.7220  1.0
  Sc  Sc1  4  0.0998  0.5000  0.4586  1.0
  Sc  Sc2  4  0.1469  0.0000  0.2010  1.0
  Sc  Sc3  4  0.1830  0.5000  0.9508  1.0
  Ga  Ga4  4  0.2201  0.0000  0.6271  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]