data_YCr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Sn
_chemical_formula_sum   'Y1 Cr2 Sn1'
_cell_volume   85.2
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.84  0.4  0.92  1.0
  Cr  Cr1  1  0.5  0.4  0.27  1.0
  Sn  Sn2  1  0.67  0.0  0.6  1.0

data_YCr2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Sn
_chemical_formula_sum   'Y1 Cr2 Sn1'
_cell_volume   85.2
_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
  Cr  Cr1  1  0.5  0.4  0.27  1.0
  Cr  Cr2  1  0.84  0.4  0.92  1.0
  Sn  Sn3  1  0.67  0.0  0.6  1.0

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