data_KRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.5
_cell_angle_alpha   98.59
_cell_angle_beta   98.59
_cell_angle_gamma   32.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Sn
_chemical_formula_sum   'K1 Re2 Sn1'
_cell_volume   92.25
_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  K0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.9  0.0  0.34  1.0
  Re  Re2  1  0.07  0.0  0.1  1.0
  Sn  Sn3  1  0.98  0.0  0.72  1.0

data_KRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.5
_cell_length_c   5.63
_cell_angle_alpha   98.59
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Sn
_chemical_formula_sum   'K1 Re2 Sn1'
_cell_volume   92.25
_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  K0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.1  0.07  1.0
  Re  Re2  1  0.0  0.34  0.9  1.0
  Sn  Sn3  1  0.0  0.72  0.98  1.0

K Re Re Sn
K Re Re Sn 0 2 o o o 0 1 - o o 0 3 - o - 1 2 + o o 1 3 o o o 