data_[Ba1Hg1Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9631]
_cell_length_b [4.5059]
_cell_length_c [6.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaHgSb2]
_chemical_formula_sum '[Ba1 Hg1 Sb2]'
_cell_volume [135.6689]
_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
[
  Ba  Ba0  1  0.3763  0.0000  0.4272  1.0
  Hg  Hg1  1  0.8580  0.5000  0.2783  1.0
  Sb  Sb2  1  0.3275  0.5000  0.9135  1.0
  Sb  Sb3  1  0.9381  0.0000  0.8810  1.0
]