data_[Ac4Cd4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3786]
_cell_length_b [4.1650]
_cell_length_c [9.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcCdC]
_chemical_formula_sum '[Ac4 Cd4 C4]'
_cell_volume [312.2055]
_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  0.0879  0.0000  0.8276  1
  Cd  Cd1  4  0.1743  0.5000  0.5573  1
  C  C2  4  0.0828  0.5000  0.0304  1
]