data_Ga2MoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2MoBr
_chemical_formula_sum   'Ga2 Mo1 Br1'
_cell_volume   72.15
_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
  Ga  Ga1  1  0.53  0.98  0.49  1.0
  Ga  Ga2  1  0.53  0.02  0.49  1.0
  Mo  Mo3  1  0.05  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2MoBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.0
_cell_length_b   2.98
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   104.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ga2MoBr
_chemical_formula_sum   'Ga2 Mo1 Br1'
_cell_volume   72.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga0  1  0.53  0.5  0.02  1.0
  Ga  Ga1  1  0.53  0.5  0.98  1.0
  Mo  Mo2  1  0.05  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ga Ga Mo Br