data_[Ac2Mg1Ga1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8971]
_cell_length_b [7.2921]
_cell_length_c [7.3957]
_cell_angle_alpha [77.9903]
_cell_angle_beta [69.9434]
_cell_angle_gamma [68.2246]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2MgGaHg6]
_chemical_formula_sum '[Ac2 Mg1 Ga1 Hg6]'
_cell_volume [276.2356]
_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  0.4964  0.7703  0.2316  1
  Mg  Mg1  1  0.0000  0.5000  0.5000  1
  Ga  Ga2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0037  0.6731  0.8253  1
  Hg  Hg4  2  0.1488  0.0810  0.5870  1
  Hg  Hg5  2  0.4913  0.2962  0.2272  1
]