data_LiInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.76
_cell_angle_alpha   97.15
_cell_angle_beta   97.15
_cell_angle_gamma   121.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInMo2
_chemical_formula_sum   'Li1 In1 Mo2'
_cell_volume   66.86
_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
  In  In0  1  0.64  0.0  0.0  1.0
  Mo  Mo2  1  0.97  0.37  0.34  1.0
  Mo  Mo3  1  0.97  0.63  0.34  1.0

data_LiInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.28
_cell_length_c   5.43
_cell_angle_alpha   60.93
_cell_angle_beta   82.85
_cell_angle_gamma   75.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInMo2
_chemical_formula_sum   'Li1 In1 Mo2'
_cell_volume   66.86
_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  Li0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.64  1.0
  Mo  Mo2  1  0.66  0.37  0.59  1.0
  Mo  Mo3  1  0.66  0.63  0.34  1.0

Li In Mo Mo