data_Mn4Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84
_cell_length_b   10.84
_cell_length_c   10.84
_cell_angle_alpha   164.87
_cell_angle_beta   164.87
_cell_angle_gamma   21.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Ga3
_chemical_formula_sum   'Mn4 Ga3'
_cell_volume   86.75
_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  Mn3  1  0.0  0.0  0.42  1.0
  Mn  Mn4  1  0.0  0.0  0.88  1.0
  Mn  Mn5  1  0.0  0.0  0.17  1.0
  Mn  Mn6  1  0.0  0.0  0.13  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.98  1.0
  Ga  Ga2  1  0.0  0.0  0.32  1.0

data_Mn4Ga3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn4Ga3
_chemical_formula_sum   'Mn8 Ga6'
_cell_volume   173.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.13  0.0  0.13  1.0
  Mn  Mn1  2  0.17  0.0  0.17  1.0
  Mn  Mn2  2  0.38  0.5  0.88  1.0
  Mn  Mn3  2  0.42  0.0  0.42  1.0
  Ga  Ga4  2  0.0  0.0  0.0  1.0
  Ga  Ga5  2  0.32  0.0  0.32  1.0
  Ga  Ga6  2  0.48  0.5  0.98  1.0

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