data_MnGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Cl
_chemical_formula_sum   'Mn1 Ga2 Cl1'
_cell_volume   70.95
_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  0.43  1.0
  Ga  Ga1  1  0.61  0.61  0.02  1.0
  Ga  Ga2  1  0.61  0.61  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnGa2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGa2Cl
_chemical_formula_sum   'Mn2 Ga4 Cl2'
_cell_volume   141.91
_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  0.0  0.0  0.43  1.0
  Ga  Ga1  2  0.11  0.5  0.02  1.0
  Ga  Ga2  2  0.11  0.5  0.83  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Mn Ga Ga Cl
Mn Ga Ga Cl 0 1 - - o 0 1 - o o 0 1 o - o 0 2 - - o 0 2 - o o 0 2 o - o 0 0 + o o 0 0 o + o 0 3 o o o 1 2 o o - 1 3 + + o 2 3 + + + 