data_[Ac4Nd4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5915]
_cell_length_b [26.5988]
_cell_length_c [4.3356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcNdGa3]
_chemical_formula_sum '[Ac4 Nd4 Ga12]'
_cell_volume [529.5057]
_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  0.0742  0.2500  1
  Nd  Nd1  4  0.0000  0.2031  0.7500  1
  Ga  Ga2  4  0.0000  0.3235  0.7500  1
  Ga  Ga3  4  0.0000  0.3786  0.2500  1
  Ga  Ga4  4  0.0000  0.4758  0.2500  1
]