data_Ga2NiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.58
_cell_angle_alpha   111.12
_cell_angle_beta   111.12
_cell_angle_gamma   31.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiMo
_chemical_formula_sum   'Ga2 Ni1 Mo1'
_cell_volume   56.82
_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  0.0  0.35  1.0
  Ga  Ga1  1  0.21  0.0  0.88  1.0
  Ni  Ni3  1  0.04  0.0  0.7  1.0
  Mo  Mo2  1  0.77  0.0  0.43  1.0

data_Ga2NiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.58
_cell_length_c   5.04
_cell_angle_alpha   111.12
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiMo
_chemical_formula_sum   'Ga2 Ni1 Mo1'
_cell_volume   56.82
_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  0.0  0.35  0.97  1.0
  Ga  Ga1  1  0.0  0.88  0.21  1.0
  Ni  Ni2  1  0.0  0.7  0.04  1.0
  Mo  Mo3  1  0.0  0.43  0.77  1.0

Ga Ga Ni Mo
Ga Ga Ni Mo 0 3 o o o 1 2 o o o 