data_CrReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.28
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   40.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReSn2
_chemical_formula_sum   'Cr1 Re1 Sn2'
_cell_volume   75.34
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.97  0.0  0.6  1.0
  Sn  Sn2  1  0.47  0.0  0.84  1.0
  Sn  Sn3  1  0.47  0.0  0.36  1.0

data_CrReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.72
_cell_length_c   5.28
_cell_angle_alpha   99.52
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReSn2
_chemical_formula_sum   'Cr1 Re1 Sn2'
_cell_volume   75.34
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.03  0.4  1.0
  Sn  Sn2  1  0.0  0.53  0.64  1.0
  Sn  Sn3  1  0.0  0.53  0.16  1.0

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