data_CeInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeInNi
_chemical_formula_sum   'Ce3 In3 Ni3'
_cell_volume   201.77
_cell_formula_units_Z   3
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  0.45  0.0  0.0  1.0
  Ce  Ce1  1  0.58  0.73  0.0  1.0
  Ce  Ce2  1  0.77  0.86  0.0  1.0
  In  In3  1  0.86  0.0  0.01  1.0
  In  In4  1  0.07  0.61  0.01  1.0
  In  In5  1  0.88  0.98  0.01  1.0
  Ni  Ni6  1  0.81  0.2  0.01  1.0
  Ni  Ni7  1  0.0  0.39  0.01  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0

data_CeInNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.61
_cell_length_b   4.02
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CeInNi
_chemical_formula_sum   'Ce3 In3 Ni3'
_cell_volume   201.77
_cell_formula_units_Z   3
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  1  0.45  0.0  0.0  1.0
  Ce  Ce1  1  0.58  0.0  0.73  1.0
  Ce  Ce2  1  0.77  0.0  0.86  1.0
  In  In3  1  0.07  0.0  0.61  1.0
  In  In4  1  0.86  0.0  0.0  1.0
  In  In5  1  0.88  0.0  0.98  1.0
  Ni  Ni6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.0  0.0  0.39  1.0
  Ni  Ni8  1  0.81  0.0  0.2  1.0

Ce Ce Ce In In In Ni Ni Ni
Ce Ce Ce In In In Ni Ni Ni 0 4 o - o 0 1 o - o 0 6 o o o 1 2 o o o 2 3 o + o 2 5 o o o 3 5 o - o 3 6 o o o 4 7 o o o 5 8 + + o 6 7 + o o 