data_Cr3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Sn
_chemical_formula_sum   'Cr12 Sn4'
_cell_volume   226.21
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.63  0.38  0.33  1.0
  Cr  Cr1  1  0.63  0.38  0.0  1.0
  Cr  Cr2  1  0.37  0.38  0.33  1.0
  Cr  Cr3  1  0.75  0.0  0.33  1.0
  Cr  Cr4  1  0.75  0.0  0.0  1.0
  Cr  Cr5  1  0.37  0.38  0.0  1.0
  Cr  Cr6  1  0.15  0.83  0.49  1.0
  Cr  Cr7  1  0.6  0.92  0.16  1.0
  Cr  Cr8  1  0.85  0.83  0.49  1.0
  Cr  Cr9  1  0.0  0.84  0.49  1.0
  Cr  Cr10  1  0.75  0.91  0.16  1.0
  Cr  Cr11  1  0.9  0.92  0.16  1.0
  Sn  Sn12  1  0.0  0.0  0.33  1.0
  Sn  Sn13  1  0.0  0.0  0.0  1.0
  Sn  Sn14  1  0.75  0.59  0.49  1.0
  Sn  Sn15  1  0.0  0.17  0.16  1.0

data_Cr3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Sn
_chemical_formula_sum   'Cr12 Sn4'
_cell_volume   226.21
_cell_formula_units_Z   4
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
  Cr  Cr0  1  -0.0  0.84  0.49  1.0
  Cr  Cr1  1  0.15  0.83  0.49  1.0
  Cr  Cr2  1  0.37  0.38  0.0  1.0
  Cr  Cr3  1  0.37  0.38  0.33  1.0
  Cr  Cr4  1  0.6  0.92  0.16  1.0
  Cr  Cr5  1  0.63  0.38  0.0  1.0
  Cr  Cr6  1  0.63  0.38  0.33  1.0
  Cr  Cr7  1  0.75  0.0  0.0  1.0
  Cr  Cr8  1  0.75  0.0  0.33  1.0
  Cr  Cr9  1  0.75  0.91  0.16  1.0
  Cr  Cr10  1  0.85  0.83  0.49  1.0
  Cr  Cr11  1  0.9  0.92  0.16  1.0
  Sn  Sn12  1  -0.0  0.17  0.16  1.0
  Sn  Sn13  1  0.0  0.0  0.0  1.0
  Sn  Sn14  1  0.0  0.0  0.33  1.0
  Sn  Sn15  1  0.75  0.59  0.49  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Sn Sn Sn Sn