data_GaNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.03
_cell_length_c   2.82
_cell_angle_alpha   76.76
_cell_angle_beta   76.21
_cell_angle_gamma   27.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiGe
_chemical_formula_sum   'Ga1 Ni1 Ge1'
_cell_volume   45.32
_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
  Ga  Ga0  1  0.97  0.02  0.11  1.0
  Ni  Ni2  1  0.97  0.02  0.8  1.0
  Ge  Ge1  1  0.97  0.02  0.88  1.0

data_GaNiGe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.82
_cell_length_b   11.39
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   GaNiGe
_chemical_formula_sum   'Ga2 Ni2 Ge2'
_cell_volume   90.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ga  Ga0  2  0.0  0.5  0.92  1.0
  Ni  Ni1  2  0.0  0.5  0.22  1.0
  Ge  Ge2  2  0.0  0.5  0.15  1.0

Ga Ni Ge
Ga Ni Ge 0 2 o o - 1 2 o o o 