data_NiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   40.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2
_chemical_formula_sum   'Ni2 Sb4'
_cell_volume   122.81
_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
  Ni  Ni0  1  0.05  0.75  0.42  1.0
  Ni  Ni1  1  0.05  0.25  0.14  1.0
  Sb  Sb2  1  0.65  0.06  0.42  1.0
  Sb  Sb3  1  0.46  0.94  0.14  1.0
  Sb  Sb4  1  0.46  0.06  0.42  1.0
  Sb  Sb5  1  0.65  0.94  0.14  1.0

data_NiSb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.46
_cell_length_b   4.55
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiSb2
_chemical_formula_sum   'Ni2 Sb4'
_cell_volume   122.81
_cell_formula_units_Z   2
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
  Ni  Ni0  2  0.25  0.86  0.25  1.0
  Sb  Sb1  2  0.06  0.14  0.46  1.0
  Sb  Sb2  2  0.06  0.14  0.65  1.0

Ni Ni Sb Sb Sb Sb