data_Mg2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   143.03
_cell_angle_beta   131.4
_cell_angle_gamma   62.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnGa
_chemical_formula_sum   'Mg2 Mn1 Ga1'
_cell_volume   70.12
_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  0.22  0.33  1.0
  Mg  Mg2  1  0.71  0.0  0.28  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.61  1.0

data_Mg2MnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.44
_cell_length_c   5.4
_cell_angle_alpha   114.3
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnGa
_chemical_formula_sum   'Mg2 Mn1 Ga1'
_cell_volume   70.12
_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  0.28  0.57  1.0
  Mg  Mg1  1  0.78  0.11  0.11  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.61  0.61  1.0

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