data_[Ac4Cu1Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4556]
_cell_length_b [4.4770]
_cell_length_c [11.2451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac4CuRu3]
_chemical_formula_sum '[Ac4 Cu1 Ru3]'
_cell_volume [224.3145]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1316  1
  Ac  Ac1  1  0.0000  0.5000  0.8581  1
  Ac  Ac2  1  0.5000  0.0000  0.6492  1
  Ac  Ac3  1  0.5000  0.5000  0.3609  1
  Cu  Cu4  1  0.5000  0.5000  0.0592  1
  Ru  Ru5  1  0.0000  0.0000  0.4575  1
  Ru  Ru6  1  0.0000  0.5000  0.5466  1
  Ru  Ru7  1  0.5000  0.0000  0.9369  1
]