data_MgMn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Ga
_chemical_formula_sum   'Mg1 Mn2 Ga1'
_cell_volume   58.92
_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
  Mn  Mn2  1  0.4  0.85  0.42  1.0
  Mn  Mn3  1  0.4  0.15  0.42  1.0
  Ga  Ga0  1  0.81  0.0  0.0  1.0

data_MgMn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   105.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Ga
_chemical_formula_sum   'Mg1 Mn2 Ga1'
_cell_volume   58.92
_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
  Mn  Mn1  1  0.42  0.4  0.15  1.0
  Mn  Mn2  1  0.42  0.4  0.85  1.0
  Ga  Ga3  1  -0.0  0.81  0.0  1.0

Mg Mn Mn Ga
Mg Mn Mn Ga 0 3 - o o 1 2 o + o 