data_MnIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Mo
_chemical_formula_sum   'Mn1 In2 Mo1'
_cell_volume   70.02
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.44  0.91  0.45  1.0
  In  In1  1  0.44  0.09  0.45  1.0
  Mo  Mo3  1  0.89  0.0  0.0  1.0

data_MnIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   110.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Mo
_chemical_formula_sum   'Mn1 In2 Mo1'
_cell_volume   70.02
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.45  0.44  0.91  1.0
  In  In2  1  0.45  0.44  0.09  1.0
  Mo  Mo3  1  -0.0  0.89  0.0  1.0

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