data_[Ba2Hg1As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6624]
_cell_length_b [6.1883]
_cell_length_c [17.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.4793]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2HgAs2]
_chemical_formula_sum '[Ba2 Hg1 As2]'
_cell_volume [624.5974]
_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  0.3753  0.8760  0.4418  1
  Ba  Ba1  1  0.9690  0.3270  0.5877  1
  Hg  Hg2  1  0.4823  0.3800  0.4990  1
  As  As3  1  0.8530  0.8137  0.5448  1
  As  As4  1  0.8688  0.5950  0.4267  1
]