data_MgNbSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.69
_cell_angle_alpha   98.61
_cell_angle_beta   98.61
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbSn2
_chemical_formula_sum   'Mg1 Nb1 Sn2'
_cell_volume   86.85
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.51  0.0  0.81  1.0
  Sn  Sn2  1  0.28  0.0  0.49  1.0
  Sn  Sn3  1  0.75  0.0  0.13  1.0

data_MgNbSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.2
_cell_length_c   5.69
_cell_angle_alpha   98.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbSn2
_chemical_formula_sum   'Mg1 Nb1 Sn2'
_cell_volume   86.85
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.49  0.19  1.0
  Sn  Sn2  1  0.0  0.25  0.87  1.0
  Sn  Sn3  1  0.0  0.72  0.51  1.0

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