data_Ba2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   8.96
_cell_angle_alpha   105.9
_cell_angle_beta   105.9
_cell_angle_gamma   58.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnGa
_chemical_formula_sum   'Ba2 Mn1 Ga1'
_cell_volume   140.5
_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
  Ba  Ba0  1  0.95  0.0  0.84  1.0
  Ba  Ba1  1  0.87  0.0  0.57  1.0
  Mn  Mn3  1  0.92  0.0  0.22  1.0
  Ga  Ga2  1  0.55  0.0  0.12  1.0

data_Ba2MnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.4
_cell_length_c   8.83
_cell_angle_alpha   77.26
_cell_angle_beta   75.9
_cell_angle_gamma   60.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnGa
_chemical_formula_sum   'Ba2 Mn1 Ga1'
_cell_volume   140.5
_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
  Ba  Ba0  1  0.0  0.11  0.84  1.0
  Ba  Ba1  1  0.0  0.3  0.57  1.0
  Mn  Mn2  1  0.0  0.7  0.22  1.0
  Ga  Ga3  1  0.0  0.43  0.12  1.0

Ba Ba Mn Ga
Ba Ba Mn Ga 0 1 o o o 2 3 o o o 