data_[Ce4Zn6Ni4]
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 [C2/m]
_cell_length_a [9.1250]
_cell_length_b [4.3510]
_cell_length_c [6.5531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Zn3Ni2]
_chemical_formula_sum '[Ce4 Zn6 Ni4]'
_cell_volume [245.6844]
_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  4  0.1418  0.5000  0.3778  1
  Zn  Zn1  4  0.2044  0.5000  0.8856  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0844  0.0000  0.6904  1
]