data_[Ac12Mg2Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.7096]
_cell_length_b [4.2133]
_cell_length_c [13.2519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6MgCo3]
_chemical_formula_sum '[Ac12 Mg2 Co6]'
_cell_volume [662.0573]
_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  2  0.0490  0.7500  0.7630  1
  Ac  Ac1  2  0.1334  0.2500  0.0582  1
  Ac  Ac2  2  0.1810  0.2500  0.5633  1
  Ac  Ac3  2  0.2707  0.7500  0.3469  1
  Ac  Ac4  2  0.3471  0.2500  0.8736  1
  Ac  Ac5  2  0.4615  0.7500  0.6497  1
  Mg  Mg6  2  0.3715  0.7500  0.1143  1
  Co  Co7  2  0.0497  0.7500  0.1572  1
  Co  Co8  2  0.2578  0.7500  0.7169  1
  Co  Co9  2  0.3985  0.2500  0.4905  1
]