data_[Ca2Ac10Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6521]
_cell_length_b [17.0534]
_cell_length_c [8.0319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaAc5Hg6]
_chemical_formula_sum '[Ca2 Ac10 Hg12]'
_cell_volume [774.1743]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Ac  Ac1  4  0.0000  0.3308  0.5000  1
  Ac  Ac2  4  0.0000  0.3364  0.0000  1
  Ac  Ac3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  8  0.0000  0.1624  0.2449  1
  Hg  Hg5  4  0.0000  0.5000  0.2429  1
]