data_NbSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   142.75
_cell_angle_beta   129.3
_cell_angle_gamma   64.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Mo
_chemical_formula_sum   'Nb1 Sn2 Mo1'
_cell_volume   77.88
_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  Nb1  1  0.0  0.0  0.87  1.0
  Sn  Sn2  1  0.0  0.36  0.57  1.0
  Sn  Sn3  1  0.0  0.0  0.47  1.0
  Mo  Mo0  1  0.0  0.36  0.1  1.0

data_NbSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.73
_cell_length_c   5.52
_cell_angle_alpha   115.35
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Mo
_chemical_formula_sum   'Nb1 Sn2 Mo1'
_cell_volume   77.88
_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  0.87  0.87  1.0
  Sn  Sn1  1  0.0  0.47  0.47  1.0
  Sn  Sn2  1  0.64  0.21  0.21  1.0
  Mo  Mo3  1  0.64  0.73  0.73  1.0

Nb Sn Sn Mo