data_Ni2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.68
_cell_angle_alpha   101.45
_cell_angle_beta   101.45
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeMo
_chemical_formula_sum   'Ni2 Ge1 Mo1'
_cell_volume   52.63
_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  Ni2  1  0.41  0.0  0.53  1.0
  Ni  Ni3  1  0.32  0.0  0.41  1.0
  Ge  Ge0  1  0.73  0.0  0.45  1.0
  Mo  Mo1  1  0.1  0.0  0.03  1.0

data_Ni2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.42
_cell_length_c   4.68
_cell_angle_alpha   101.45
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeMo
_chemical_formula_sum   'Ni2 Ge1 Mo1'
_cell_volume   52.63
_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  0.59  0.47  1.0
  Ni  Ni1  1  0.0  0.68  0.59  1.0
  Ge  Ge2  1  0.0  0.27  0.55  1.0
  Mo  Mo3  1  0.0  0.9  0.97  1.0

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