data_BaRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31
_cell_length_b   10.31
_cell_length_c   10.31
_cell_angle_alpha   17.34
_cell_angle_beta   17.34
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Sn
_chemical_formula_sum   'Ba1 Re2 Sn1'
_cell_volume   84.86
_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
  Ba  Ba0  1  0.0  0.0  0.23  1.0
  Re  Re1  1  0.0  0.0  0.04  1.0
  Re  Re2  1  0.0  0.0  0.41  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_BaRe2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.11
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaRe2Sn
_chemical_formula_sum   'Ba2 Re4 Sn2'
_cell_volume   169.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.77  1.0
  Re  Re1  2  0.0  0.0  0.59  1.0
  Re  Re2  2  0.0  0.0  0.96  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Ba Re Re Sn