data_[Ce4Mn14Al20]
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 [Cm]
_cell_length_a [9.9939]
_cell_length_b [8.9161]
_cell_length_c [6.6997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce2Mn7Al10]
_chemical_formula_sum '[Ce4 Mn14 Al20]'
_cell_volume [588.8429]
_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
[
  Ce  Ce0  2  0.1492  0.5000  0.3591  1.0
  Ce  Ce1  2  0.3445  0.0000  0.6584  1.0
  Mn  Mn2  4  0.0978  0.2402  0.6609  1.0
  Mn  Mn3  4  0.2489  0.2434  0.9962  1.0
  Mn  Mn4  2  0.0036  0.0000  0.5046  1.0
  Mn  Mn5  2  0.1596  0.5000  0.8409  1.0
  Mn  Mn6  2  0.3402  0.0000  0.1449  1.0
  Al  Al7  4  0.0030  0.3113  0.9900  1.0
  Al  Al8  4  0.1514  0.1468  0.2996  1.0
  Al  Al9  4  0.3488  0.3496  0.7053  1.0
  Al  Al10  4  0.4057  0.2493  0.3449  1.0
  Al  Al11  2  0.1091  0.0000  0.8918  1.0
  Al  Al12  2  0.3825  0.5000  0.1065  1.0
]