data_SrNb2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05
_cell_length_b   10.05
_cell_length_c   10.05
_cell_angle_alpha   17.54
_cell_angle_beta   17.54
_cell_angle_gamma   17.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Ni
_chemical_formula_sum   'Sr1 Nb2 Ni1'
_cell_volume   80.43
_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
  Sr  Sr3  1  0.0  0.0  0.84  1.0
  Nb  Nb0  1  0.0  0.0  0.75  1.0
  Nb  Nb1  1  0.0  0.0  0.92  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_SrNb2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.06
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNb2Ni
_chemical_formula_sum   'Sr2 Nb4 Ni2'
_cell_volume   160.86
_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
  Sr  Sr0  2  -0.0  0.0  0.16  1.0
  Nb  Nb1  2  -0.0  0.0  0.25  1.0
  Nb  Nb2  2  -0.0  0.0  0.08  1.0
  Ni  Ni3  2  -0.0  0.0  0.0  1.0

Sr Nb Nb Ni