data_NbIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2Mo
_chemical_formula_sum   'Nb1 In2 Mo1'
_cell_volume   85.98
_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
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.49  0.4  0.5  1.0
  In  In1  1  0.49  0.6  0.5  1.0
  Mo  Mo2  1  0.98  0.0  0.0  1.0

data_NbIn2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.65
_cell_length_b   3.0
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   116.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbIn2Mo
_chemical_formula_sum   'Nb1 In2 Mo1'
_cell_volume   85.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.49  0.5  0.4  1.0
  In  In2  1  0.49  0.5  0.6  1.0
  Mo  Mo3  1  0.98  0.0  0.0  1.0

Nb In In Mo