data_ReNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   132.75
_cell_angle_beta   124.09
_cell_angle_gamma   76.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiSn2
_chemical_formula_sum   'Re1 Ni1 Sn2'
_cell_volume   69.3
_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  Re1  1  0.0  0.0  0.85  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.96  0.0  0.81  1.0
  Sn  Sn3  1  0.0  0.29  0.04  1.0

data_ReNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.59
_cell_length_c   4.89
_cell_angle_alpha   117.96
_cell_angle_beta   113.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiSn2
_chemical_formula_sum   'Re1 Ni1 Sn2'
_cell_volume   69.3
_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  0.85  0.85  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.81  0.85  1.0
  Sn  Sn3  1  0.71  0.75  0.75  1.0

Re Ni Sn Sn