data_In2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.27
_cell_angle_alpha   101.58
_cell_angle_beta   101.58
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiGe
_chemical_formula_sum   'In2 Ni1 Ge1'
_cell_volume   84.03
_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
  In  In1  1  0.98  0.8  0.54  1.0
  In  In2  1  0.98  0.2  0.54  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.11  0.0  0.0  1.0

data_In2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   109.54
_cell_angle_beta   101.58
_cell_angle_gamma   101.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiGe
_chemical_formula_sum   'In2 Ni1 Ge1'
_cell_volume   84.03
_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
  In  In0  1  0.54  0.98  0.2  1.0
  In  In1  1  0.54  0.98  0.8  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.11  0.0  1.0

In In Ni Ge