data_[Ac3Ce6As3]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0052]
_cell_length_b [4.0052]
_cell_length_c [28.8372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcCe2As]
_chemical_formula_sum '[Ac3 Ce6 As3]'
_cell_volume [400.6193]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4996  1
  Ce  Ce1  3  0.0000  0.0000  0.7282  1
  Ce  Ce2  3  0.0000  0.0000  0.9386  1
  As  As3  3  0.0000  0.0000  0.3334  1
]