data_[Ac4Tb4Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0994]
_cell_length_b [24.5205]
_cell_length_c [4.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcTbNi3]
_chemical_formula_sum '[Ac4 Tb4 Ni12]'
_cell_volume [411.2113]
_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  0.0000  0.0737  0.2500  1
  Tb  Tb1  4  0.0000  0.2061  0.7500  1
  Ni  Ni2  4  0.0000  0.3210  0.7500  1
  Ni  Ni3  4  0.0000  0.3741  0.2500  1
  Ni  Ni4  4  0.0000  0.4734  0.2500  1
]