data_[Ce2Zn1Ge3]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1687]
_cell_length_b [4.3136]
_cell_length_c [7.3398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2ZnGe3]
_chemical_formula_sum '[Ce2 Zn1 Ge3]'
_cell_volume [131.9842]
_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  1  0.0000  0.0000  0.5097  1.0
  Ce  Ce1  1  0.0000  0.5000  0.9916  1.0
  Zn  Zn2  1  0.5000  0.5000  0.3279  1.0
  Ge  Ge3  1  0.5000  0.0000  0.1751  1.0
  Ge  Ge4  1  0.5000  0.0000  0.8362  1.0
  Ge  Ge5  1  0.5000  0.5000  0.6595  1.0
]