data_[Ba4Hg2Sb2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2401]
_cell_length_b [4.7971]
_cell_length_c [10.1033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2HgSbAs]
_chemical_formula_sum '[Ba4 Hg2 Sb2 As2]'
_cell_volume [382.0111]
_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
[
  Ba  Ba0  2  0.1861  0.2500  0.3991  1.0
  Ba  Ba1  2  0.2304  0.2500  0.9706  1.0
  Hg  Hg2  2  0.4945  0.7500  0.2647  1.0
  Sb  Sb3  2  0.2985  0.7500  0.6989  1.0
  As  As4  2  0.1635  0.7500  0.1757  1.0
]