data_SrGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   147.95
_cell_angle_beta   129.44
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaNi2
_chemical_formula_sum   'Sr1 Ga1 Ni2'
_cell_volume   70.59
_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  0.54  0.0  0.8  1.0
  Ga  Ga0  1  0.0  0.0  0.62  1.0
  Ni  Ni1  1  0.0  0.38  0.8  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_SrGaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.77
_cell_length_c   5.58
_cell_angle_alpha   115.28
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaNi2
_chemical_formula_sum   'Sr1 Ga1 Ni2'
_cell_volume   70.59
_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  0.74  0.2  0.74  1.0
  Ga  Ga1  1  0.38  0.38  0.38  1.0
  Ni  Ni2  1  0.2  0.58  0.58  1.0
  Ni  Ni3  1  1.0  1.0  1.0  1.0

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