data_[Ac4Ga4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9347]
_cell_length_b [4.3619]
_cell_length_c [9.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcGaCu3]
_chemical_formula_sum '[Ac4 Ga4 Cu12]'
_cell_volume [381.2897]
_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  0.1861  0.2500  0.0035  1
  Ga  Ga1  4  0.0709  0.2500  0.3673  1
  Cu  Cu2  4  0.0789  0.2500  0.6412  1
  Cu  Cu3  4  0.1595  0.7500  0.2303  1
  Cu  Cu4  4  0.1598  0.7500  0.7754  1
]