data_[Ac4Hg4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3390]
_cell_length_b [4.8226]
_cell_length_c [11.2554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcHgBr]
_chemical_formula_sum '[Ac4 Hg4 Br4]'
_cell_volume [452.3698]
_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
[
  Ac  Ac0  4  0.0090  0.0000  0.6915  1
  Hg  Hg1  4  0.1655  0.5000  0.4735  1
  Br  Br2  4  0.1826  0.5000  0.8465  1
]