data_[Y3Hg2B1Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5961]
_cell_length_b [7.5961]
_cell_length_c [3.4882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Y3Hg2BRh3]
_chemical_formula_sum '[Y3 Hg2 B1 Rh3]'
_cell_volume [174.3062]
_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
[
  Y  Y0  3  0.0000  0.6446  0.0000  1
  Hg  Hg1  2  0.3333  0.6667  0.5000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  3  0.0000  0.2107  0.5000  1
]