data_[Y4Sc4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1588]
_cell_length_b [3.6445]
_cell_length_c [16.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YScHg]
_chemical_formula_sum '[Y4 Sc4 Hg4]'
_cell_volume [305.7304]
_cell_formula_units_Z [4]
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
[
  Y  Y0  2  0.0000  0.0000  0.8682  1.0
  Y  Y1  2  0.5000  0.0000  0.7202  1.0
  Sc  Sc2  2  0.0000  0.0000  0.1751  1.0
  Sc  Sc3  2  0.5000  0.0000  0.0365  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5351  1.0
  Hg  Hg5  2  0.5000  0.0000  0.3799  1.0
]