data_Ga2MoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.76
_cell_angle_beta   128.7
_cell_angle_gamma   63.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2MoBr
_chemical_formula_sum   'Ga2 Mo1 Br1'
_cell_volume   73.01
_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  0.0  0.39  0.69  1.0
  Ga  Ga2  1  0.0  0.0  0.03  1.0
  Mo  Mo3  1  0.0  0.39  0.0  1.0
  Br  Br0  1  0.0  0.0  0.38  1.0

data_Ga2MoBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.78
_cell_length_c   5.52
_cell_angle_alpha   115.65
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2MoBr
_chemical_formula_sum   'Ga2 Mo1 Br1'
_cell_volume   73.01
_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  Ga0  1  0.0  0.03  0.03  1.0
  Ga  Ga1  1  0.61  0.3  0.3  1.0
  Mo  Mo2  1  0.61  0.62  0.62  1.0
  Br  Br3  1  0.0  0.38  0.38  1.0

Ga Ga Mo Br