data_GaSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   40.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb2Mo
_chemical_formula_sum   'Ga1 Sb2 Mo1'
_cell_volume   82.41
_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  0.95  1.0
  Sb  Sb2  1  0.0  0.0  0.24  1.0
  Sb  Sb3  1  0.26  0.0  0.25  1.0
  Mo  Mo1  1  0.26  0.0  0.39  1.0

data_GaSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.51
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb2Mo
_chemical_formula_sum   'Ga1 Sb2 Mo1'
_cell_volume   82.41
_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  0.05  0.0  0.05  1.0
  Sb  Sb1  1  0.75  0.26  0.75  1.0
  Sb  Sb2  1  0.76  0.0  0.76  1.0
  Mo  Mo3  1  0.61  0.26  0.61  1.0

Ga Sb Sb Mo
Ga Sb Sb Mo 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 