data_YZr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.61
_cell_angle_alpha   102.37
_cell_angle_beta   102.37
_cell_angle_gamma   34.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Sn
_chemical_formula_sum   'Y1 Zr2 Sn1'
_cell_volume   98.63
_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  Y1  1  0.72  0.0  0.04  1.0
  Zr  Zr2  1  0.09  0.0  0.08  1.0
  Zr  Zr3  1  0.85  0.0  0.39  1.0
  Sn  Sn0  1  0.73  0.0  0.69  1.0

data_YZr2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.61
_cell_length_c   5.67
_cell_angle_alpha   102.37
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Sn
_chemical_formula_sum   'Y1 Zr2 Sn1'
_cell_volume   98.63
_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  0.04  0.72  1.0
  Zr  Zr1  1  0.0  0.08  0.09  1.0
  Zr  Zr2  1  0.0  0.39  0.85  1.0
  Sn  Sn3  1  0.0  0.69  0.73  1.0

Y Zr Zr Sn