data_NiGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.79
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Mo
_chemical_formula_sum   'Ni1 Ge2 Mo1'
_cell_volume   59.44
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.88  0.02  0.28  1.0
  Ge  Ge1  1  0.88  0.98  0.28  1.0
  Mo  Mo2  1  0.87  0.0  0.0  1.0

data_NiGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   109.14
_cell_angle_beta   103.34
_cell_angle_gamma   103.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Mo
_chemical_formula_sum   'Ni1 Ge2 Mo1'
_cell_volume   59.44
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.28  0.88  0.02  1.0
  Ge  Ge2  1  0.28  0.88  0.98  1.0
  Mo  Mo3  1  0.0  0.87  0.0  1.0

Ni Ge Ge Mo
Ni Ge Ge Mo 0 3 - o o 1 2 o - o 1 3 o o o 