data_[Sc4Ga2Hg5]
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 [P2/m]
_cell_length_a [7.6079]
_cell_length_b [3.3692]
_cell_length_c [9.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Ga2Hg5]
_chemical_formula_sum '[Sc4 Ga2 Hg5]'
_cell_volume [235.7103]
_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  0.1862  0.5000  0.8672  1.0
  Sc  Sc1  2  0.2448  0.5000  0.4267  1.0
  Ga  Ga2  2  0.0705  0.0000  0.6292  1.0
  Hg  Hg3  2  0.1529  0.0000  0.1416  1.0
  Hg  Hg4  2  0.4507  0.0000  0.6733  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]