data_BaGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   122.83
_cell_angle_beta   122.83
_cell_angle_gamma   85.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaMo2
_chemical_formula_sum   'Ba1 Ga1 Mo2'
_cell_volume   83.41
_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
  Ba  Ba0  1  0.0  0.38  0.83  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.38  0.0  0.83  1.0
  Mo  Mo3  1  0.0  0.0  0.67  1.0

data_BaGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.98
_cell_angle_alpha   118.59
_cell_angle_beta   118.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaMo2
_chemical_formula_sum   'Ba1 Ga1 Mo2'
_cell_volume   83.41
_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
  Ba  Ba0  1  0.55  0.38  0.55  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.17  0.0  0.55  1.0
  Mo  Mo3  1  0.33  0.0  0.33  1.0

Ba Ga Mo Mo