data_YZrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.14
_cell_angle_alpha   95.26
_cell_angle_beta   95.26
_cell_angle_gamma   33.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSn2
_chemical_formula_sum   'Y1 Zr1 Sn2'
_cell_volume   101.4
_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  0.32  0.0  0.34  1.0
  Zr  Zr3  1  0.68  0.0  0.49  1.0
  Sn  Sn0  1  0.19  0.0  0.8  1.0
  Sn  Sn1  1  0.34  0.0  0.03  1.0

data_YZrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.14
_cell_length_c   6.01
_cell_angle_alpha   95.26
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSn2
_chemical_formula_sum   'Y1 Zr1 Sn2'
_cell_volume   101.4
_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  0.34  0.32  1.0
  Zr  Zr1  1  0.0  0.49  0.68  1.0
  Sn  Sn2  1  0.0  0.03  0.34  1.0
  Sn  Sn3  1  0.0  0.8  0.19  1.0

Y Zr Sn Sn