data_Ba4Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   132.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ga
_chemical_formula_sum   'Ba4 Ga1'
_cell_volume   232.32
_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  0.52  0.92  0.0  1.0
  Ba  Ba1  1  0.92  0.52  0.0  1.0
  Ba  Ba2  1  1.0  0.6  0.84  1.0
  Ba  Ba3  1  0.6  0.0  0.84  1.0
  Ga  Ga4  1  0.0  0.0  0.0  1.0

data_Ba4Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   12.79
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   113.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba4Ga
_chemical_formula_sum   'Ba8 Ga2'
_cell_volume   464.65
_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  4  0.05  0.2  0.84  1.0
  Ba  Ba1  4  0.28  0.2  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Ga