data_Ce3(SiNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12
_cell_length_b   12.12
_cell_length_c   12.12
_cell_angle_alpha   161.09
_cell_angle_beta   160.76
_cell_angle_gamma   27.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3(SiNi)4
_chemical_formula_sum   'Ce3 Si4 Ni4'
_cell_volume   189.97
_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  0.99  0.0  0.26  1.0
  Ce  Ce1  1  0.0  0.03  0.52  1.0
  Ce  Ce2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.99  0.0  0.65  1.0
  Si  Si4  1  0.0  0.03  0.13  1.0
  Si  Si5  1  0.0  0.0  0.58  1.0
  Si  Si6  1  0.0  0.0  0.98  1.0
  Ni  Ni7  1  0.99  0.0  0.29  1.0
  Ni  Ni8  1  0.0  0.03  0.48  1.0
  Ni  Ni9  1  0.0  0.0  0.88  1.0
  Ni  Ni10  1  0.0  0.0  0.68  1.0

data_Ce3(SiNi)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   12.12
_cell_angle_alpha   90.0
_cell_angle_beta   103.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ce3(SiNi)4
_chemical_formula_sum   'Ce6 Si8 Ni8'
_cell_volume   380.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ce  Ce1  2  0.01  0.5  0.49  1.0
  Ce  Ce2  2  0.27  0.0  0.27  1.0
  Si  Si3  2  0.09  0.5  0.58  1.0
  Si  Si4  2  0.12  0.0  0.1  1.0
  Si  Si5  2  0.16  0.5  0.66  1.0
  Si  Si6  2  0.48  0.5  0.98  1.0
  Ni  Ni7  2  0.18  0.5  0.68  1.0
  Ni  Ni8  2  0.3  0.0  0.3  1.0
  Ni  Ni9  2  0.38  0.5  0.88  1.0
  Ni  Ni10  2  0.48  0.0  0.46  1.0

Ce Ce Ce Si Si Si Si Ni Ni Ni Ni
Ce Ce Ce Si Si Si Si Ni Ni Ni Ni 0 7 o o o 1 8 o o o 1 5 o o o 2 6 o o - 2 4 o o o 3 10 + o o 3 5 + o o 5 10 o o o 6 9 o o o 