data_LiGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   136.43
_cell_angle_beta   136.43
_cell_angle_gamma   63.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaMo2
_chemical_formula_sum   'Li1 Ga1 Mo2'
_cell_volume   59.19
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.27  1.0
  Mo  Mo2  1  0.86  0.0  0.13  1.0
  Mo  Mo3  1  0.0  0.86  0.13  1.0

data_LiGaMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   121.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGaMo2
_chemical_formula_sum   'Li2 Ga2 Mo4'
_cell_volume   118.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.27  1.0
  Mo  Mo2  4  0.07  0.07  0.27  1.0

Li Ga Mo Mo