data_InNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   42.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiGe2
_chemical_formula_sum   'In1 Ni1 Ge2'
_cell_volume   71.36
_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  In2  1  0.95  0.0  0.97  1.0
  Ni  Ni3  1  0.0  0.0  0.52  1.0
  Ge  Ge0  1  0.95  0.0  0.98  1.0
  Ge  Ge1  1  0.0  0.0  0.73  1.0

data_InNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.89
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiGe2
_chemical_formula_sum   'In1 Ni1 Ge2'
_cell_volume   71.36
_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  0.03  0.95  0.03  1.0
  Ni  Ni1  1  0.48  0.0  0.48  1.0
  Ge  Ge2  1  0.02  0.95  0.02  1.0
  Ge  Ge3  1  0.27  0.0  0.27  1.0

In Ni Ge Ge