data_[Ac12Co4Ni2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1229]
_cell_length_b [4.2225]
_cell_length_c [9.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Co2NiCl3]
_chemical_formula_sum '[Ac12 Co4 Ni2 Cl6]'
_cell_volume [741.5003]
_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
[
  Ac  Ac0  4  0.0135  0.0000  0.2260  1
  Ac  Ac1  4  0.1585  0.5000  0.1163  1
  Ac  Ac2  4  0.1786  0.5000  0.5533  1
  Co  Co3  4  0.1659  0.0000  0.3315  1
  Ni  Ni4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1670  0.0000  0.8341  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]