data_CoNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   130.98
_cell_angle_beta   130.98
_cell_angle_gamma   71.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Sb
_chemical_formula_sum   'Co1 Ni2 Sb1'
_cell_volume   51.96
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.88  0.0  0.84  1.0
  Ni  Ni2  1  0.0  0.88  0.84  1.0
  Sb  Sb3  1  0.0  0.0  0.67  1.0

data_CoNi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   125.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNi2Sb
_chemical_formula_sum   'Co2 Ni4 Sb2'
_cell_volume   103.92
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.1  0.06  0.04  1.0
  Sb  Sb2  2  0.33  0.0  0.33  1.0

Co Ni Ni Sb
Co Ni Ni Sb 0 1 - o - 0 2 o - - 1 2 + - o 1 3 + o o 2 3 o + o 