data_NbSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnMo2
_chemical_formula_sum   'Nb1 Sn1 Mo2'
_cell_volume   71.78
_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  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.45  1.0
  Mo  Mo0  1  0.67  0.0  0.75  1.0
  Mo  Mo1  1  0.67  0.0  0.16  1.0

data_NbSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnMo2
_chemical_formula_sum   'Nb1 Sn1 Mo2'
_cell_volume   71.78
_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  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.45  1.0
  Mo  Mo2  1  0.67  0.0  0.16  1.0
  Mo  Mo3  1  0.67  0.0  0.75  1.0

Nb Sn Mo Mo
Nb Sn Mo Mo 0 3 - o o 0 2 o o - 0 2 - o - 1 1 + + o 1 1 o + o 1 1 + o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 2 2 o + o 2 2 + o o 