data_Mn8Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   95.8
_cell_angle_beta   95.8
_cell_angle_gamma   142.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn8Ga
_chemical_formula_sum   'Mn8 Ga1'
_cell_volume   100.85
_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  Mn1  1  0.33  0.67  0.78  1.0
  Mn  Mn2  1  0.67  0.33  0.78  1.0
  Mn  Mn3  1  0.58  0.0  0.0  1.0
  Mn  Mn4  1  0.33  0.33  0.78  1.0
  Mn  Mn5  1  0.0  0.58  0.0  1.0
  Mn  Mn6  1  0.43  0.43  0.0  1.0
  Mn  Mn7  1  0.94  0.0  0.0  1.0
  Mn  Mn8  1  0.0  0.94  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Mn8Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   10.64
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn8Ga
_chemical_formula_sum   'Mn16 Ga2'
_cell_volume   201.7
_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  4  0.03  0.97  -0.0  1.0
  Mn  Mn1  4  0.21  0.79  -0.0  1.0
  Mn  Mn2  4  0.28  0.17  0.78  1.0
  Mn  Mn3  2  0.07  0.5  0.0  1.0
  Mn  Mn4  2  0.45  0.0  0.78  1.0
  Ga  Ga5  2  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Ga