data_[Ac2Er1Mg1Hg6]
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
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0807]
_cell_length_b [7.1393]
_cell_length_c [7.7134]
_cell_angle_alpha [80.5427]
_cell_angle_beta [69.6086]
_cell_angle_gamma [69.1180]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2ErMgHg6]
_chemical_formula_sum '[Ac2 Er1 Mg1 Hg6]'
_cell_volume [292.9453]
_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  0.4970  0.7697  0.2284  1
  Er  Er1  1  0.0000  0.5000  0.5000  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0019  0.3350  0.1627  1
  Hg  Hg4  2  0.1408  0.0644  0.6019  1
  Hg  Hg5  2  0.4998  0.7215  0.7730  1
]