data_Nb2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   135.09
_cell_angle_beta   135.09
_cell_angle_gamma   65.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReSn
_chemical_formula_sum   'Nb2 Re1 Sn1'
_cell_volume   71.97
_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
  Nb  Nb0  1  0.01  0.0  0.22  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.01  0.22  1.0
  Sn  Sn3  1  0.0  0.0  0.44  1.0

data_Nb2ReSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.27
_cell_angle_alpha   112.46
_cell_angle_beta   112.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReSn
_chemical_formula_sum   'Nb2 Re1 Sn1'
_cell_volume   71.97
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.78  0.0  0.8  1.0
  Re  Re2  1  0.8  0.01  0.8  1.0
  Sn  Sn3  1  0.56  0.0  0.56  1.0

Nb Nb Re Sn
Nb Nb Re Sn 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 