data_[Ac4Ce4Y4]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8707]
_cell_length_b [17.6583]
_cell_length_c [4.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcCeY]
_chemical_formula_sum '[Ac4 Ce4 Y4]'
_cell_volume [427.9088]
_cell_formula_units_Z [4]
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  4  0.0000  0.2757  0.2500  1
  Ce  Ce1  4  0.0000  0.4517  0.7500  1
  Y  Y2  4  0.0000  0.0845  0.7500  1
]