data_[Ba2Mg1Zn1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5419]
_cell_length_b [7.3521]
_cell_length_c [7.6169]
_cell_angle_alpha [73.8498]
_cell_angle_beta [67.8772]
_cell_angle_gamma [65.4416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2MgZnHg6]
_chemical_formula_sum '[Ba2 Mg1 Zn1 Hg6]'
_cell_volume [305.4390]
_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  2  0.2696  0.2823  0.2133  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  1  0.5000  0.5000  0.5000  1
  Hg  Hg3  2  0.2251  0.8769  0.6236  1
  Hg  Hg4  2  0.2378  0.2644  0.7379  1
  Hg  Hg5  2  0.2791  0.7532  0.2357  1
]