data_Cr3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.75
_cell_angle_beta   116.75
_cell_angle_gamma   116.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Sn
_chemical_formula_sum   'Cr3 Sn1'
_cell_volume   56.0
_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
  Cr  Cr0  1  0.11  0.78  0.91  1.0
  Cr  Cr1  1  0.89  0.78  0.91  1.0
  Cr  Cr2  1  0.0  0.44  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_Cr3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.75
_cell_angle_beta   100.51
_cell_angle_gamma   100.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Sn
_chemical_formula_sum   'Cr3 Sn1'
_cell_volume   56.0
_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
  Cr  Cr0  1  0.91  0.02  0.13  1.0
  Cr  Cr1  1  0.91  0.79  0.13  1.0
  Cr  Cr2  1  0.91  0.91  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Cr Cr Cr Sn