data_[Ba4Sr4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1839]
_cell_length_b [4.1729]
_cell_length_c [8.3762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrHg]
_chemical_formula_sum '[Ba4 Sr4 Hg4]'
_cell_volume [511.1260]
_cell_formula_units_Z [4]
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  4  0.1366  0.5000  0.8152  1.0
  Sr  Sr1  4  0.1288  0.5000  0.3159  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
]