data_CeZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   133.15
_cell_angle_beta   98.96
_cell_angle_gamma   99.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZn2
_chemical_formula_sum   'Ce2 Zn4'
_cell_volume   132.25
_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  1  0.32  0.89  0.31  1.0
  Ce  Ce1  1  0.0  0.89  0.47  1.0
  Zn  Zn2  1  0.0  0.22  0.24  1.0
  Zn  Zn3  1  0.0  0.44  0.3  1.0
  Zn  Zn4  1  0.32  0.35  0.47  1.0
  Zn  Zn5  1  0.32  0.56  0.53  1.0

data_CeZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   80.77
_cell_angle_beta   66.57
_cell_angle_gamma   66.57
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeZn2
_chemical_formula_sum   'Ce2 Zn4'
_cell_volume   132.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.42  0.84  0.08  1.0
  Zn  Zn1  2  0.36  0.16  0.47  1.0
  Zn  Zn2  2  0.42  0.16  0.63  1.0

Ce Ce Zn Zn Zn Zn
Ce Ce Zn Zn Zn Zn 0 4 o + o 0 1 o o o 1 3 o o o 2 3 o o o 4 5 o o o 