data_[Ac4Co4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2053]
_cell_length_b [4.1607]
_cell_length_c [11.6033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AcCoCl]
_chemical_formula_sum '[Ac4 Co4 Cl4]'
_cell_volume [341.4823]
_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  2  0.0483  0.0000  0.8166  1
  Ac  Ac1  2  0.1572  0.0000  0.1719  1
  Co  Co2  2  0.2693  0.5000  0.9942  1
  Co  Co3  2  0.4360  0.0000  0.9942  1
  Cl  Cl4  2  0.0416  0.5000  0.3380  1
  Cl  Cl5  2  0.3309  0.0000  0.6505  1
]