data_YZrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.97
_cell_angle_alpha   100.93
_cell_angle_beta   100.93
_cell_angle_gamma   37.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSn2
_chemical_formula_sum   'Y1 Zr1 Sn2'
_cell_volume   102.27
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.47  0.0  0.92  1.0
  Sn  Sn0  1  0.61  0.0  0.22  1.0
  Sn  Sn1  1  0.33  0.0  0.63  1.0

data_YZrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.35
_cell_length_c   5.97
_cell_angle_alpha   100.93
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSn2
_chemical_formula_sum   'Y1 Zr1 Sn2'
_cell_volume   102.27
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.53  0.08  1.0
  Sn  Sn2  1  0.0  0.39  0.78  1.0
  Sn  Sn3  1  0.0  0.67  0.37  1.0

Y Zr Sn Sn
Y Zr Sn Sn 0 2 - o o 0 1 - o - 0 1 o o - 0 3 o o - 1 3 o o o 1 2 o o + 