data_[Ce1Nd3Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0302]
_cell_length_b [5.7454]
_cell_length_c [6.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CeNd3Al4]
_chemical_formula_sum '[Ce1 Nd3 Al4]'
_cell_volume [205.2522]
_cell_formula_units_Z [1]
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  1  0.3389  0.0000  0.9803  1
  Nd  Nd1  1  0.0198  0.5000  0.6599  1
  Nd  Nd2  1  0.6618  0.5000  0.0208  1
  Nd  Nd3  1  0.9789  0.0000  0.3390  1
  Al  Al4  2  0.5007  0.2505  0.5002  1
  Al  Al5  1  0.1952  0.5000  0.1971  1
  Al  Al6  1  0.8039  0.0000  0.8025  1
]