data_ReNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiSn2
_chemical_formula_sum   'Re1 Ni1 Sn2'
_cell_volume   68.19
_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  0.18  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.59  0.64  0.64  1.0
  Sn  Sn3  1  0.59  0.36  0.64  1.0

data_ReNiSn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.27
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ReNiSn2
_chemical_formula_sum   'Re1 Ni1 Sn2'
_cell_volume   68.22
_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
  Re  Re0  1  0.0  0.0  0.18  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.64  0.36  0.59  1.0

Re Ni Sn Sn
Re Ni Sn Sn 0 1 o o o 2 3 o o o 