data_CeNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiSb2
_chemical_formula_sum   'Ce2 Ni2 Sb4'
_cell_volume   183.27
_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  0.2  0.24  1.0
  Ce  Ce1  1  0.2  0.0  0.27  1.0
  Ni  Ni2  1  0.2  0.2  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Sb  Sb4  1  0.2  0.0  0.37  1.0
  Sb  Sb5  1  0.0  0.2  0.14  1.0
  Sb  Sb6  1  0.0  0.0  0.75  1.0
  Sb  Sb7  1  0.2  0.2  0.75  1.0

data_CeNiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CeNiSb2
_chemical_formula_sum   'Ce4 Ni4 Sb8'
_cell_volume   366.55
_cell_formula_units_Z   4
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  0.24  1.0
  Ce  Ce1  2  0.2  0.0  0.27  1.0
  Ni  Ni2  4  0.1  0.1  -0.0  1.0
  Sb  Sb3  4  0.1  0.1  0.75  1.0
  Sb  Sb4  2  0.0  0.0  0.14  1.0
  Sb  Sb5  2  0.2  0.0  0.37  1.0

Ce Ce Ni Ni Sb Sb Sb Sb