data_MnGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   7.92
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa3
_chemical_formula_sum   'Mn4 Ga12'
_cell_volume   241.22
_cell_formula_units_Z   4
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
  Mn  Mn12  1  0.39  0.94  0.04  1.0
  Mn  Mn13  1  0.98  0.98  0.6  1.0
  Mn  Mn14  1  0.26  0.94  0.27  1.0
  Mn  Mn15  1  0.86  0.98  0.83  1.0
  Ga  Ga0  1  0.06  0.94  0.58  1.0
  Ga  Ga1  1  0.06  0.98  0.02  1.0
  Ga  Ga2  1  0.18  0.94  0.85  1.0
  Ga  Ga3  1  0.18  0.98  0.29  1.0
  Ga  Ga4  1  0.12  0.6  0.93  1.0
  Ga  Ga5  1  0.0  0.33  0.49  1.0
  Ga  Ga6  1  0.24  0.29  0.39  1.0
  Ga  Ga7  1  0.13  0.63  0.95  1.0
  Ga  Ga8  1  0.13  0.33  0.95  1.0
  Ga  Ga9  1  0.24  0.6  0.39  1.0
  Ga  Ga10  1  0.0  0.63  0.49  1.0
  Ga  Ga11  1  0.12  0.29  0.93  1.0

data_MnGa3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   6.24
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnGa3
_chemical_formula_sum   'Mn4 Ga12'
_cell_volume   241.22
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mn  Mn0  2  0.17  0.86  0.52  1.0
  Mn  Mn1  2  0.4  0.74  0.52  1.0
  Ga  Ga2  2  0.05  0.88  0.17  1.0
  Ga  Ga3  2  0.05  0.88  0.87  1.0
  Ga  Ga4  2  0.15  0.94  0.48  1.0
  Ga  Ga5  2  0.42  0.06  0.48  1.0
  Ga  Ga6  2  0.49  1.0  0.13  1.0
  Ga  Ga7  2  0.49  1.0  0.83  1.0

Mn Mn Mn Mn Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga
Mn Mn Mn Mn Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga 0 6 o o - 0 2 o o o 1 4 + o o 1 3 o o o 2 7 o o o 3 5 + o + 5 6 o o - 8 11 o o o 9 10 o o o 12 15 o o o 13 14 o o o 