data_[Sr2Ac4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7881]
_cell_length_b [16.8464]
_cell_length_c [5.5230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(AcHg4)2]
_chemical_formula_sum '[Sr2 Ac4 Hg16]'
_cell_volume [643.6380]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  2  0.0000  0.0000  0.5000  1
  Ac  Ac1  4  0.0000  0.3128  0.0000  1
  Hg  Hg2  8  0.2249  0.8679  0.2381  1
  Hg  Hg3  4  0.0000  0.2004  0.5000  1
  Hg  Hg4  4  0.0655  0.5000  0.8129  1
]