data_SrNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.45
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Cl
_chemical_formula_sum   'Sr1 Ni2 Cl1'
_cell_volume   86.18
_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  1.0  0.72  0.6  1.0
  Ni  Ni1  1  0.35  0.72  0.88  1.0
  Ni  Ni2  1  0.11  0.0  0.3  1.0
  Cl  Cl0  1  0.28  0.0  0.19  1.0

data_SrNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.45
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Cl
_chemical_formula_sum   'Sr1 Ni2 Cl1'
_cell_volume   86.18
_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  1.0  0.72  0.6  1.0
  Ni  Ni1  1  0.11  0.0  0.3  1.0
  Ni  Ni2  1  0.35  0.72  0.88  1.0
  Cl  Cl3  1  0.28  0.0  0.19  1.0

Sr Ni Ni Cl
Sr Ni Ni Cl 0 2 + + o 0 1 + o o 1 3 o + + 2 3 o o o 