data_[Ba2Mg8Hg2]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.9252]
_cell_length_b [4.4835]
_cell_length_c [8.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BaMg4Hg]
_chemical_formula_sum '[Ba2 Mg8 Hg2]'
_cell_volume [342.3612]
_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  0.2500  0.0000  0.3904  1.0
  Mg  Mg1  4  0.0595  0.5000  0.7092  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  2  0.2500  0.5000  0.0492  1.0
  Hg  Hg4  2  0.2500  0.0000  0.8003  1.0
]