data_[Ce2Mg2Zn22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3544]
_cell_length_b [12.6214]
_cell_length_c [6.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeMgZn11]
_chemical_formula_sum '[Ce2 Mg2 Zn22]'
_cell_volume [431.2304]
_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
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  8  0.1018  0.3897  0.2142  1
  Zn  Zn3  8  0.1843  0.1793  0.3509  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]