data_YNb2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   136.4
_cell_angle_beta   136.4
_cell_angle_gamma   63.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Sn
_chemical_formula_sum   'Y1 Nb2 Sn1'
_cell_volume   87.23
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.12  0.0  0.43  1.0
  Nb  Nb1  1  0.0  0.12  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.86  1.0

data_YNb2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   121.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YNb2Sn
_chemical_formula_sum   'Y2 Nb4 Sn2'
_cell_volume   174.46
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.44  0.44  0.31  1.0
  Sn  Sn2  2  0.0  0.0  0.86  1.0

Y Nb Nb Sn