data_[Ac4La4Ni4]
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 [P2_1/c]
_cell_length_a [7.4280]
_cell_length_b [7.5616]
_cell_length_c [7.5803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcLaNi]
_chemical_formula_sum '[Ac4 La4 Ni4]'
_cell_volume [379.3834]
_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
[
  La  La0  4  0.2358  0.6713  0.0405  1
  Ac  Ac1  4  0.2769  0.1720  0.9414  1
  Ni  Ni2  4  0.4376  0.5497  0.8117  1
]