data_Y2NbSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.37
_cell_angle_alpha   103.05
_cell_angle_beta   103.05
_cell_angle_gamma   37.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbSi
_chemical_formula_sum   'Y2 Nb1 Si1'
_cell_volume   89.87
_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  Y2  1  0.71  0.0  1.0  1.0
  Y  Y3  1  0.1  0.0  0.22  1.0
  Nb  Nb0  1  0.41  0.0  0.61  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Y2NbSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.33
_cell_length_c   5.37
_cell_angle_alpha   103.05
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbSi
_chemical_formula_sum   'Y2 Nb1 Si1'
_cell_volume   89.87
_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  Y0  1  0.0  0.29  0.0  1.0
  Y  Y1  1  0.0  0.9  0.78  1.0
  Nb  Nb2  1  0.0  0.59  0.39  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Y Nb Si
Y Y Nb Si 0 3 + o + 0 2 o o o 1 3 o o o 1 2 o o o 