data_[Ce2Mn2Zn22]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1993]
_cell_length_b [12.6306]
_cell_length_c [6.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeMnZn11]
_chemical_formula_sum '[Ce2 Mn2 Zn22]'
_cell_volume [416.4381]
_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  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Zn  Zn2  8  0.1075  0.3900  0.2208  1
  Zn  Zn3  8  0.1918  0.1744  0.3560  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]