data_[Ac12Co4B28]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3904]
_cell_length_b [20.3915]
_cell_length_c [9.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3CoB7]
_chemical_formula_sum '[Ac12 Co4 B28]'
_cell_volume [678.1366]
_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  8  0.0000  0.1067  0.5577  1
  Ac  Ac1  4  0.0000  0.1947  0.2500  1
  Co  Co2  4  0.0000  0.0305  0.2500  1
  B  B3  8  0.0000  0.2563  0.5084  1
  B  B4  8  0.0000  0.4139  0.6658  1
  B  B5  8  0.0000  0.4898  0.5929  1
  B  B6  4  0.0000  0.4653  0.2500  1
]