data_MgNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Ga
_chemical_formula_sum   'Mg1 Nb2 Ga1'
_cell_volume   73.14
_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  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.47  0.11  0.48  1.0
  Nb  Nb3  1  0.47  0.89  0.48  1.0
  Ga  Ga0  1  0.94  0.0  0.0  1.0

data_MgNb2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   110.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Ga
_chemical_formula_sum   'Mg1 Nb2 Ga1'
_cell_volume   73.14
_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  0.0  1.0
  Nb  Nb1  1  0.48  0.47  0.89  1.0
  Nb  Nb2  1  0.48  0.47  0.11  1.0
  Ga  Ga3  1  -0.0  0.94  0.0  1.0

Mg Nb Nb Ga
Mg Nb Nb Ga 0 3 - o o 1 2 o - o 