data_[Ac4Sm2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2918]
_cell_length_b [5.6889]
_cell_length_c [5.8899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2SmNiO6]
_chemical_formula_sum '[Ac4 Sm2 Ni2 O12]'
_cell_volume [295.3709]
_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  0.2403  0.5000  0.7245  1
  Sm  Sm1  2  0.0000  0.5000  0.0000  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0575  0.2351  0.3331  1
  O  O4  4  0.2451  0.0000  0.8457  1
]