data_[Ce4Zn5Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1099]
_cell_length_b [3.4137]
_cell_length_c [9.2675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Zn5Ni2]
_chemical_formula_sum '[Ce4 Zn5 Ni2]'
_cell_volume [224.7153]
_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  2  0.1271  0.5000  0.8831  1.0
  Ce  Ce1  2  0.2557  0.5000  0.4570  1.0
  Zn  Zn2  2  0.2264  0.0000  0.1710  1.0
  Zn  Zn3  2  0.4245  0.0000  0.7152  1.0
  Zn  Zn4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0514  0.0000  0.6397  1.0
]