data_[Ac1Tb4Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7848]
_cell_length_b [3.7848]
_cell_length_c [19.1257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AcTb4Hg5]
_chemical_formula_sum '[Ac1 Tb4 Hg5]'
_cell_volume [273.9743]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.2114  1
  Tb  Tb1  2  0.0000  0.0000  0.4041  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.5000  0.5000  0.1194  1
  Hg  Hg4  2  0.5000  0.5000  0.3076  1
  Hg  Hg5  1  0.5000  0.5000  0.5000  1
]