data_YCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.69
_cell_angle_alpha   107.63
_cell_angle_beta   107.63
_cell_angle_gamma   54.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuSn2
_chemical_formula_sum   'Y1 Cu1 Sn2'
_cell_volume   94.38
_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  0.19  0.0  0.67  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.63  0.0  0.39  1.0
  Sn  Sn2  1  0.75  0.0  0.96  1.0

data_YCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.67
_cell_length_c   5.69
_cell_angle_alpha   107.63
_cell_angle_beta   90.0
_cell_angle_gamma   117.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuSn2
_chemical_formula_sum   'Y1 Cu1 Sn2'
_cell_volume   94.38
_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  0.81  0.33  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.25  0.04  1.0
  Sn  Sn3  1  0.0  0.37  0.61  1.0

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