data_Ga5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Mo3
_chemical_formula_sum   'Ga5 Mo3'
_cell_volume   122.63
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.89  0.91  0.0  1.0
  Ga  Ga2  1  0.89  0.09  0.0  1.0
  Ga  Ga3  1  0.77  0.95  0.94  1.0
  Ga  Ga4  1  0.77  0.05  0.94  1.0
  Mo  Mo5  1  0.77  0.0  0.0  1.0
  Mo  Mo6  1  0.65  0.0  0.94  1.0
  Mo  Mo7  1  0.9  0.0  0.94  1.0

data_Ga5Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   95.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Mo3
_chemical_formula_sum   'Ga5 Mo3'
_cell_volume   122.63
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.89  0.09  1.0
  Ga  Ga2  1  0.0  0.89  0.91  1.0
  Ga  Ga3  1  0.94  0.77  0.05  1.0
  Ga  Ga4  1  0.94  0.77  0.95  1.0
  Mo  Mo5  1  0.0  0.77  0.0  1.0
  Mo  Mo6  1  0.94  0.65  0.0  1.0
  Mo  Mo7  1  0.94  0.9  0.0  1.0

Ga Ga Ga Ga Ga Mo Mo Mo