data_AlInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.04
_cell_angle_alpha   100.54
_cell_angle_beta   100.54
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInMo2
_chemical_formula_sum   'Al1 In1 Mo2'
_cell_volume   68.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.25  0.0  0.47  1.0
  Mo  Mo2  1  0.83  0.0  0.16  1.0
  Mo  Mo3  1  0.67  0.0  0.78  1.0

data_AlInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.95
_cell_length_c   5.04
_cell_angle_alpha   100.54
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInMo2
_chemical_formula_sum   'Al1 In1 Mo2'
_cell_volume   68.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.75  0.53  1.0
  Mo  Mo2  1  0.0  0.17  0.84  1.0
  Mo  Mo3  1  0.0  0.33  0.22  1.0

Al In Mo Mo
Al In Mo Mo 0 2 - o o 0 1 o o o 0 3 - o - 1 2 - o o 1 3 o o o 2 3 o o - 