data_MgInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.33
_cell_angle_alpha   94.6
_cell_angle_beta   94.6
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInMo2
_chemical_formula_sum   'Mg1 In1 Mo2'
_cell_volume   71.51
_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  0.04  0.0  0.32  1.0
  In  In0  1  0.58  0.0  0.62  1.0
  Mo  Mo2  1  0.57  0.0  0.24  1.0
  Mo  Mo3  1  0.01  0.0  0.1  1.0

data_MgInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.98
_cell_length_c   5.33
_cell_angle_alpha   94.6
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInMo2
_chemical_formula_sum   'Mg1 In1 Mo2'
_cell_volume   71.51
_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  0.0  0.96  0.68  1.0
  In  In1  1  0.0  0.42  0.38  1.0
  Mo  Mo2  1  0.0  0.43  0.76  1.0
  Mo  Mo3  1  0.0  0.99  0.9  1.0

Mg In Mo Mo
Mg In Mo Mo 0 3 o o o 0 2 - o o 1 2 o o o 2 3 + o o 