data_[Ba4Zn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5925]
_cell_length_b [6.8859]
_cell_length_c [8.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaZnHg]
_chemical_formula_sum '[Ba4 Zn4 Hg4]'
_cell_volume [366.9116]
_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  0.2030  0.6470  0.3765  1.0
  Zn  Zn1  4  0.3863  0.0997  0.2850  1.0
  Hg  Hg2  4  0.2370  0.1336  0.5365  1.0
]