data_Sr2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   8.54
_cell_angle_alpha   102.55
_cell_angle_beta   102.55
_cell_angle_gamma   56.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InNi
_chemical_formula_sum   'Sr2 In1 Ni1'
_cell_volume   132.5
_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  0.38  0.0  0.61  1.0
  Sr  Sr3  1  0.2  0.0  0.66  1.0
  In  In0  1  0.79  0.0  0.14  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Sr2InNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.37
_cell_length_c   8.54
_cell_angle_alpha   102.55
_cell_angle_beta   90.0
_cell_angle_gamma   118.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InNi
_chemical_formula_sum   'Sr2 In1 Ni1'
_cell_volume   132.5
_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  0.62  0.39  1.0
  Sr  Sr1  1  0.0  0.8  0.34  1.0
  In  In2  1  0.0  0.21  0.86  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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