data_[Ac6In2Cu4]
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 [Pmc2_1]
_cell_length_a [4.7071]
_cell_length_b [10.0170]
_cell_length_c [7.8205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ac3InCu2]
_chemical_formula_sum '[Ac6 In2 Cu4]'
_cell_volume [368.7409]
_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  0.0000  0.4357  0.8363  1
  Ac  Ac1  2  0.5000  0.1473  0.6866  1
  Ac  Ac2  2  0.5000  0.2358  0.2044  1
  In  In3  2  0.0000  0.0166  0.9529  1
  Cu  Cu4  2  0.0000  0.2836  0.4805  1
  Cu  Cu5  2  0.5000  0.4301  0.5405  1
]