data_[Ac8Sm4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5685]
_cell_length_b [19.5839]
_cell_length_c [13.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2SmHgTe5]
_chemical_formula_sum '[Ac8 Sm4 Hg4 Te20]'
_cell_volume [1238.7967]
_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  0.0000  0.1224  0.6837  1
  Ac  Ac1  4  0.0000  0.1243  0.3063  1
  Sm  Sm2  4  0.0000  0.1882  0.0023  1
  Hg  Hg3  4  0.0000  0.4354  0.4671  1
  Te  Te4  4  0.0000  0.0376  0.0884  1
  Te  Te5  4  0.0000  0.2951  0.6612  1
  Te  Te6  4  0.0000  0.2983  0.3377  1
  Te  Te7  4  0.0000  0.3523  0.9983  1
  Te  Te8  4  0.0000  0.4950  0.2789  1
]