data_LaGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Mo
_chemical_formula_sum   'La1 Ga2 Mo1'
_cell_volume   79.32
_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
  La  La2  1  0.0  0.0  0.39  1.0
  Ga  Ga0  1  0.39  0.0  0.27  1.0
  Ga  Ga1  1  0.39  0.0  0.52  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_LaGa2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaGa2Mo
_chemical_formula_sum   'La1 Ga2 Mo1'
_cell_volume   79.34
_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
  La  La0  1  0.0  0.0  0.39  1.0
  Ga  Ga1  1  0.39  0.0  0.27  1.0
  Ga  Ga2  1  0.39  0.0  0.52  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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