data_SrZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.73
_cell_angle_alpha   110.63
_cell_angle_beta   110.63
_cell_angle_gamma   57.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnNi2
_chemical_formula_sum   'Sr1 Zn1 Ni2'
_cell_volume   79.0
_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  0.55  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.95  0.0  0.3  1.0
  Ni  Ni1  1  0.15  0.0  0.94  1.0

data_SrZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.22
_cell_length_c   5.73
_cell_angle_alpha   110.63
_cell_angle_beta   90.0
_cell_angle_gamma   118.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnNi2
_chemical_formula_sum   'Sr1 Zn1 Ni2'
_cell_volume   79.0
_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  0.45  0.38  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.05  0.7  1.0
  Ni  Ni3  1  0.0  0.85  0.06  1.0

Sr Zn Ni Ni
Sr Zn Ni Ni 0 2 - o o 0 2 o o o 0 3 o o o 0 3 + o o 0 1 + o + 1 3 o o - 1 2 - o o 