data_MgInMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.29
_cell_length_c   2.89
_cell_angle_alpha   80.72
_cell_angle_beta   76.61
_cell_angle_gamma   22.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInMo
_chemical_formula_sum   'Mg1 In1 Mo1'
_cell_volume   57.79
_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
  Mg  Mg1  1  0.84  0.22  0.55  1.0
  In  In0  1  0.84  0.22  0.99  1.0
  Mo  Mo2  1  0.84  0.22  0.67  1.0

data_MgInMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   14.11
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   129.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInMo
_chemical_formula_sum   'Mg2 In2 Mo2'
_cell_volume   115.58
_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
  Mg  Mg0  2  0.05  0.5  0.4  1.0
  In  In1  2  0.49  0.5  0.84  1.0
  Mo  Mo2  2  0.17  0.5  0.51  1.0

Mg In Mo
Mg In Mo 0 2 o o o 1 2 o o o 