data_SrNb2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   5.05
_cell_angle_alpha   112.27
_cell_angle_beta   112.27
_cell_angle_gamma   26.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Ni
_chemical_formula_sum   'Sr1 Nb2 Ni1'
_cell_volume   81.11
_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  0.12  0.0  0.32  1.0
  Nb  Nb0  1  0.23  0.0  0.94  1.0
  Nb  Nb1  1  0.01  0.0  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_SrNb2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.05
_cell_length_c   6.27
_cell_angle_alpha   112.27
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Ni
_chemical_formula_sum   'Sr1 Nb2 Ni1'
_cell_volume   81.11
_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  Sr0  1  0.0  0.32  0.12  1.0
  Nb  Nb1  1  0.0  0.71  0.01  1.0
  Nb  Nb2  1  0.0  0.94  0.23  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Sr Nb Nb Ni