data_CeNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiGe
_chemical_formula_sum   'Ce2 Ni2 Ge2'
_cell_volume   117.71
_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  0.0  0.0  0.84  1.0
  Ce  Ce1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.43  0.92  1.0
  Ni  Ni3  1  0.1  0.21  0.77  1.0
  Ge  Ge4  1  0.0  0.43  0.77  1.0
  Ge  Ge5  1  0.1  0.21  0.92  1.0

data_CeNiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiGe
_chemical_formula_sum   'Ce2 Ni2 Ge2'
_cell_volume   117.71
_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  0.0  0.0  0.0  1.0
  Ce  Ce1  1  0.0  0.0  0.84  1.0
  Ni  Ni2  1  0.0  0.43  0.92  1.0
  Ni  Ni3  1  0.1  0.21  0.77  1.0
  Ge  Ge4  1  0.0  0.43  0.77  1.0
  Ge  Ge5  1  0.1  0.21  0.92  1.0

Ce Ce Ni Ni Ge Ge
Ce Ce Ni Ni Ge Ge 0 3 o o o 0 5 o o o 1 5 o o - 2 5 o o o 2 4 o o o 3 4 o o o 3 5 o o o 