data_Mn3Ga5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ga5
_chemical_formula_sum   'Mn3 Ga5'
_cell_volume   106.84
_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
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Mn  Mn6  1  0.08  0.0  0.94  1.0
  Mn  Mn7  1  0.26  0.0  0.94  1.0
  Ga  Ga0  1  0.67  0.0  0.0  1.0
  Ga  Ga1  1  0.84  0.87  0.0  1.0
  Ga  Ga2  1  0.84  0.13  0.0  1.0
  Ga  Ga3  1  0.67  0.14  0.94  1.0
  Ga  Ga4  1  0.67  0.86  0.94  1.0

data_Mn3Ga5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn3Ga5
_chemical_formula_sum   'Mn3 Ga5'
_cell_volume   106.86
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.94  0.0  0.08  1.0
  Mn  Mn2  1  0.94  0.0  0.26  1.0
  Ga  Ga3  2  -0.0  0.13  0.84  1.0
  Ga  Ga4  2  0.94  0.14  0.67  1.0
  Ga  Ga5  1  0.0  0.0  0.67  1.0

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