data_[Ac4Er1Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9471]
_cell_length_b [3.9471]
_cell_length_c [20.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac4ErHg5]
_chemical_formula_sum '[Ac4 Er1 Hg5]'
_cell_volume [314.2151]
_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  0.0000  0.1891  1
  Ac  Ac1  2  0.0000  0.0000  0.3966  1
  Er  Er2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.5000  0.5000  0.0816  1
  Hg  Hg4  2  0.5000  0.5000  0.2938  1
  Hg  Hg5  1  0.5000  0.5000  0.5000  1
]