data_SrNiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   143.12
_cell_angle_beta   143.12
_cell_angle_gamma   53.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiCl
_chemical_formula_sum   'Sr1 Ni1 Cl1'
_cell_volume   72.22
_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  Sr2  1  0.0  0.0  0.94  1.0
  Ni  Ni1  1  0.0  0.0  0.46  1.0
  Cl  Cl0  1  0.0  0.0  0.09  1.0

data_SrNiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   116.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNiCl
_chemical_formula_sum   'Sr2 Ni2 Cl2'
_cell_volume   144.43
_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  0.06  1.0
  Ni  Ni1  2  0.0  0.0  0.54  1.0
  Cl  Cl2  2  0.0  0.0  0.91  1.0

Sr Ni Cl