data_[Ac2In4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2622]
_cell_length_b [4.9006]
_cell_length_c [8.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcIn2Cu]
_chemical_formula_sum '[Ac2 In4 Cu2]'
_cell_volume [211.3337]
_cell_formula_units_Z [2]
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  2  0.4668  0.2500  0.7977  1
  In  In1  2  0.0305  0.2500  0.1066  1
  In  In2  2  0.1619  0.7500  0.5473  1
  Cu  Cu3  2  0.3284  0.2500  0.4050  1
]