data_[Sc4Hg5Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5957]
_cell_length_b [3.3205]
_cell_length_c [9.6163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Hg5Au2]
_chemical_formula_sum '[Sc4 Hg5 Au2]'
_cell_volume [241.4642]
_cell_formula_units_Z [1]
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  0.1809  0.5000  0.8703  1.0
  Sc  Sc1  2  0.2287  0.5000  0.4301  1.0
  Hg  Hg2  2  0.1620  0.0000  0.1404  1.0
  Hg  Hg3  2  0.4685  0.0000  0.6724  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0820  0.0000  0.6384  1.0
]