data_[Ac12Ni4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.9578]
_cell_length_b [7.4543]
_cell_length_c [12.6226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Ac6Ni2Os]
_chemical_formula_sum '[Ac12 Ni4 Os2]'
_cell_volume [654.6841]
_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  8  0.2413  0.1704  0.3356  1
  Ac  Ac1  4  0.2275  0.6656  0.5000  1
  Ni  Ni2  4  0.0000  0.5000  0.3240  1
  Os  Os3  2  0.0000  0.0000  0.5000  1
]