data_MgNbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.34
_cell_length_c   3.03
_cell_angle_alpha   80.85
_cell_angle_beta   75.63
_cell_angle_gamma   23.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbSn
_chemical_formula_sum   'Mg1 Nb1 Sn1'
_cell_volume   63.24
_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  0.88  0.37  0.12  1.0
  Nb  Nb1  1  0.88  0.37  0.47  1.0
  Sn  Sn2  1  0.88  0.37  0.6  1.0

data_MgNbSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.76
_cell_length_b   14.19
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   128.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNbSn
_chemical_formula_sum   'Mg2 Nb2 Sn2'
_cell_volume   126.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.0  0.0  1.0
  Nb  Nb1  2  0.47  0.0  0.35  1.0
  Sn  Sn2  2  0.1  0.5  0.48  1.0

Mg Nb Sn