data_[Ce4Mn4Al16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1531]
_cell_length_b [15.9331]
_cell_length_c [6.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeMnAl4]
_chemical_formula_sum '[Ce4 Mn4 Al16]'
_cell_volume [439.7827]
_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
[
  Ce  Ce0  4  0.0000  0.3831  0.2500  1.0
  Mn  Mn1  4  0.0000  0.2696  0.7500  1.0
  Al  Al2  8  0.0000  0.1812  0.0555  1.0
  Al  Al3  4  0.0000  0.0000  0.0000  1.0
  Al  Al4  4  0.0000  0.4230  0.7500  1.0
]