data_SrNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.03
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Ge
_chemical_formula_sum   'Sr1 Ni2 Ge1'
_cell_volume   82.8
_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  0.32  0.02  0.4  1.0
  Ni  Ni1  1  0.96  0.02  0.83  1.0
  Ni  Ni2  1  0.33  0.0  0.7  1.0
  Ge  Ge0  1  0.25  0.0  0.73  1.0

data_SrNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.06
_cell_length_c   5.15
_cell_angle_alpha   100.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Ge
_chemical_formula_sum   'Sr1 Ni2 Ge1'
_cell_volume   82.8
_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  0.98  0.68  0.6  1.0
  Ni  Ni1  1  0.0  0.67  0.3  1.0
  Ni  Ni2  1  0.98  0.04  0.17  1.0
  Ge  Ge3  1  0.0  0.75  0.27  1.0

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