data_NaGaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   4.48
_cell_angle_alpha   91.11
_cell_angle_beta   91.11
_cell_angle_gamma   37.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaBr2
_chemical_formula_sum   'Na1 Ga1 Br2'
_cell_volume   118.68
_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
  Na  Na3  1  0.06  0.0  0.66  1.0
  Ga  Ga2  1  0.31  0.0  0.74  1.0
  Br  Br0  1  0.15  0.0  0.46  1.0
  Br  Br1  1  0.2  0.0  0.86  1.0

data_NaGaBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.48
_cell_length_c   6.63
_cell_angle_alpha   91.11
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaBr2
_chemical_formula_sum   'Na1 Ga1 Br2'
_cell_volume   118.68
_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
  Na  Na0  1  0.0  0.66  0.06  1.0
  Ga  Ga1  1  0.0  0.74  0.31  1.0
  Br  Br2  1  0.0  0.46  0.15  1.0
  Br  Br3  1  0.0  0.86  0.2  1.0

Na Ga Br Br