data_[Ac2Zr1Hg1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6667]
_cell_length_b [5.6667]
_cell_length_c [5.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ac2ZrHgO6]
_chemical_formula_sum '[Ac2 Zr1 Hg1 O6]'
_cell_volume [176.9533]
_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
[
  Ac  Ac0  2  0.0000  0.5000  0.0014  1
  Zr  Zr1  1  0.0000  0.0000  0.5902  1
  Hg  Hg2  1  0.5000  0.5000  0.5265  1
  O  O3  4  0.2371  0.2371  0.7409  1
  O  O4  1  0.0000  0.0000  0.2238  1
  O  O5  1  0.5000  0.5000  0.1401  1
]