data_[Y2Hg4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3662]
_cell_length_b [4.3505]
_cell_length_c [4.3881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHg2Sb]
_chemical_formula_sum '[Y2 Hg4 Sb2]'
_cell_volume [212.7372]
_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
[
  Y  Y0  2  0.0000  0.5000  0.0000  1
  Hg  Hg1  4  0.2441  0.0000  0.2429  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
]