data_BaMgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   148.66
_cell_angle_beta   148.66
_cell_angle_gamma   44.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgGa
_chemical_formula_sum   'Ba1 Mg1 Ga1'
_cell_volume   90.58
_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  0.0  0.13  1.0
  Mg  Mg2  1  0.0  0.0  0.79  1.0
  Ga  Ga1  1  0.0  0.0  0.93  1.0

data_BaMgGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgGa
_chemical_formula_sum   'Ba2 Mg2 Ga2'
_cell_volume   181.15
_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
  Ba  Ba0  2  0.0  0.0  0.87  1.0
  Mg  Mg1  2  0.0  0.0  0.21  1.0
  Ga  Ga2  2  0.0  0.0  0.07  1.0

Ba Mg Ga
Ba Mg Ga 0 2 o o - 1 2 o o o 