data_Mn3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   4.87
_cell_length_c   7.77
_cell_angle_alpha   60.68
_cell_angle_beta   38.31
_cell_angle_gamma   81.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ga2
_chemical_formula_sum   'Mn6 Ga4'
_cell_volume   127.15
_cell_formula_units_Z   2
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  Mn4  1  0.01  0.15  0.69  1.0
  Mn  Mn5  1  0.6  0.78  0.69  1.0
  Mn  Mn6  1  0.17  0.01  0.83  1.0
  Mn  Mn7  1  0.75  0.38  0.83  1.0
  Mn  Mn8  1  0.3  0.46  0.03  1.0
  Mn  Mn9  1  0.15  0.23  0.17  1.0
  Ga  Ga0  1  0.06  0.84  0.86  1.0
  Ga  Ga1  1  0.55  0.09  0.86  1.0
  Ga  Ga2  1  0.91  0.32  0.72  1.0
  Ga  Ga3  1  0.7  0.6  0.72  1.0

data_Mn3Ga2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.87
_cell_length_c   6.86
_cell_angle_alpha   81.01
_cell_angle_beta   70.53
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ga2
_chemical_formula_sum   'Mn6 Ga4'
_cell_volume   127.15
_cell_formula_units_Z   2
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  Mn0  1  0.22  0.47  0.71  1.0
  Mn  Mn1  1  0.54  0.49  0.67  1.0
  Mn  Mn2  1  0.62  0.22  0.42  1.0
  Mn  Mn3  1  0.77  0.4  0.68  1.0
  Mn  Mn4  1  0.85  0.84  0.29  1.0
  Mn  Mn5  1  0.99  0.84  1.0  1.0
  Ga  Ga6  1  0.16  0.7  0.08  1.0
  Ga  Ga7  1  0.4  0.32  0.58  1.0
  Ga  Ga8  1  0.68  0.04  0.37  1.0
  Ga  Ga9  1  0.91  0.95  0.59  1.0

Mn Mn Mn Mn Mn Mn Ga Ga Ga Ga
Mn Mn Mn Mn Mn Mn Ga Ga Ga Ga 0 8 - o o 0 7 - o o 1 9 o o o 1 7 o + o 2 6 o - o 3 8 o o o 3 7 o o o 3 9 o o o 4 5 o o o 4 7 o o - 5 7 o o - 7 9 o o o 7 8 o o o 