data_KCr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.02
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Sn
_chemical_formula_sum   'K1 Cr2 Sn1'
_cell_volume   98.15
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.96  1.0
  Cr  Cr1  1  0.52  0.01  0.65  1.0
  Sn  Sn3  1  0.52  0.01  0.4  1.0

data_KCr2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   4.02
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCr2Sn
_chemical_formula_sum   'K1 Cr2 Sn1'
_cell_volume   98.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  K  K0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.96  1.0
  Cr  Cr2  1  0.52  0.0  0.65  1.0
  Sn  Sn3  1  0.52  0.0  0.4  1.0

K Cr Cr Sn
K Cr Cr Sn 0 1 o o - 2 3 o o o 