data_YCrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   127.39
_cell_angle_beta   113.85
_cell_angle_gamma   89.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrSn2
_chemical_formula_sum   'Y1 Cr1 Sn2'
_cell_volume   95.97
_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  0.69  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.83  0.04  1.0
  Sn  Sn2  1  0.3  0.0  0.65  1.0

data_YCrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   66.15
_cell_angle_beta   63.69
_cell_angle_gamma   63.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrSn2
_chemical_formula_sum   'Y1 Cr1 Sn2'
_cell_volume   95.97
_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  0.69  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.7  0.65  1.0
  Sn  Sn3  1  0.83  0.0  0.21  1.0

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