data_SrNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiCl2
_chemical_formula_sum   'Sr1 Ni1 Cl2'
_cell_volume   91.22
_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  Sr3  1  0.0  0.0  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.04  0.0  0.32  1.0
  Cl  Cl1  1  0.04  0.0  0.45  1.0

data_SrNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiCl2
_chemical_formula_sum   'Sr1 Ni1 Cl2'
_cell_volume   91.22
_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  Sr0  1  0.0  0.0  0.38  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.04  0.0  0.32  1.0
  Cl  Cl3  1  0.04  0.0  0.45  1.0

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