data_[Ac12La4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8482]
_cell_length_b [4.1252]
_cell_length_c [12.7275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3LaNi2]
_chemical_formula_sum '[Ac12 La4 Ni8]'
_cell_volume [765.0402]
_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  4  0.0854  0.5000  0.9424  1
  Ac  Ac1  4  0.0863  0.5000  0.4496  1
  Ac  Ac2  4  0.1571  0.0000  0.2542  1
  La  La3  4  0.1621  0.0000  0.7652  1
  Ni  Ni4  4  0.2334  0.0000  0.5457  1
  Ni  Ni5  4  0.2346  0.0000  0.0497  1
]