data_Mg2NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbGa
_chemical_formula_sum   'Mg2 Nb1 Ga1'
_cell_volume   76.51
_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
  Mg  Mg1  1  0.85  0.0  0.21  1.0
  Mg  Mg2  1  0.0  0.0  0.74  1.0
  Nb  Nb3  1  0.85  0.0  0.4  1.0
  Ga  Ga0  1  0.0  0.0  0.37  1.0

data_Mg2NbGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbGa
_chemical_formula_sum   'Mg2 Nb1 Ga1'
_cell_volume   76.51
_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
  Mg  Mg0  1  0.0  0.0  0.74  1.0
  Mg  Mg1  1  0.85  0.0  0.21  1.0
  Nb  Nb2  1  0.85  0.0  0.4  1.0
  Ga  Ga3  1  0.0  0.0  0.37  1.0

Mg Mg Nb Ga