data_[Ac2Ce4Th6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4376]
_cell_length_b [12.8730]
_cell_length_c [7.4507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcCe2(ThAs2)3]
_chemical_formula_sum '[Ac2 Ce4 Th6 As12]'
_cell_volume [672.6124]
_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  0.0000  0.0000  1
  Ce  Ce1  4  0.0000  0.3327  0.0000  1
  Th  Th2  4  0.0000  0.1639  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  As  As4  8  0.2427  0.3285  0.7433  1
  As  As5  4  0.2410  0.5000  0.2535  1
]