data_[Ce4Al4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8057]
_cell_length_b [6.1204]
_cell_length_c [8.5523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeAlCo]
_chemical_formula_sum '[Ce4 Al4 Co4]'
_cell_volume [230.8889]
_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  0.1902  0.6314  0.4005  1.0
  Al  Al1  4  0.2959  0.1182  0.6051  1.0
  Co  Co2  4  0.3211  0.1313  0.3325  1.0
]