data_[Ac2Ce6In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.0618]
_cell_length_b [7.2928]
_cell_length_c [5.8196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [AcCe3In4]
_chemical_formula_sum '[Ac2 Ce6 In8]'
_cell_volume [469.4706]
_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  0.5000  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Ce  Ce2  2  0.2500  0.0000  0.6489  1
  Ce  Ce3  2  0.2500  0.5000  0.6195  1
  In  In4  4  0.0000  0.2355  0.5000  1
  In  In5  4  0.2500  0.2343  0.1471  1
]