data_[Ce2Zr10Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7864]
_cell_length_b [6.7791]
_cell_length_c [14.3359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CeZr5Zn6]
_chemical_formula_sum '[Ce2 Zr10 Zn12]'
_cell_volume [465.1711]
_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
  Zr  Zr1  4  0.0000  0.0000  0.3306  1
  Zr  Zr2  4  0.0000  0.5000  0.3388  1
  Zr  Zr3  2  0.0000  0.5000  0.0000  1
  Zn  Zn4  8  0.0000  0.2620  0.1731  1
  Zn  Zn5  4  0.0000  0.2261  0.5000  1
]