data_CuReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.35
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   40.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReSn2
_chemical_formula_sum   'Cu1 Re1 Sn2'
_cell_volume   72.2
_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
  Cu  Cu0  1  0.19  0.0  0.86  1.0
  Re  Re1  1  0.95  0.0  0.54  1.0
  Sn  Sn2  1  0.72  0.0  0.92  1.0
  Sn  Sn3  1  0.79  0.0  0.33  1.0

data_CuReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.35
_cell_length_c   5.1
_cell_angle_alpha   101.11
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReSn2
_chemical_formula_sum   'Cu1 Re1 Sn2'
_cell_volume   72.2
_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
  Re  Re0  1  0.0  0.54  0.95  1.0
  Cu  Cu1  1  0.0  0.86  0.19  1.0
  Sn  Sn2  1  0.0  0.33  0.79  1.0
  Sn  Sn3  1  0.0  0.92  0.72  1.0

Cu Re Sn Sn