data_GaNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   132.77
_cell_angle_beta   130.92
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Mo
_chemical_formula_sum   'Ga1 Ni2 Mo1'
_cell_volume   52.31
_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  0.0  0.0  1.0
  Ni  Ni2  1  0.84  0.0  0.91  1.0
  Ni  Ni3  1  0.0  0.9  0.83  1.0
  Mo  Mo1  1  0.0  0.0  0.74  1.0

data_GaNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.81
_cell_length_c   4.58
_cell_angle_alpha   114.54
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Mo
_chemical_formula_sum   'Ga1 Ni2 Mo1'
_cell_volume   52.31
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.91  0.07  1.0
  Ni  Ni2  1  0.1  0.93  0.93  1.0
  Mo  Mo3  1  0.0  0.74  0.74  1.0

Ga Ni Ni Mo