data_[Ac2Pu1Th1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5569]
_cell_length_b [4.3697]
_cell_length_c [7.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac2PuThAs4]
_chemical_formula_sum '[Ac2 Pu1 Th1 As4]'
_cell_volume [236.9889]
_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  0.5000  0.5000  1
  Ac  Ac1  1  0.5000  0.0000  0.5000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  As  As4  2  0.2409  0.5000  0.2271  1
  As  As5  2  0.2561  0.0000  0.7703  1
]