data_MgInMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   147.88
_cell_angle_beta   135.96
_cell_angle_gamma   55.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInMo
_chemical_formula_sum   'Mg1 In1 Mo1'
_cell_volume   56.26
_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  0.0  0.0  0.37  1.0
  In  In0  1  0.0  0.0  0.45  1.0
  Mo  Mo2  1  0.0  0.0  0.12  1.0

data_MgInMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.01
_cell_length_c   5.35
_cell_angle_alpha   112.02
_cell_angle_beta   106.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInMo
_chemical_formula_sum   'Mg1 In1 Mo1'
_cell_volume   56.26
_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  Mg0  1  0.63  0.63  0.63  1.0
  In  In1  1  0.55  0.55  0.55  1.0
  Mo  Mo2  1  0.88  0.88  0.88  1.0

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