data_BaReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.93
_cell_angle_alpha   104.42
_cell_angle_beta   104.42
_cell_angle_gamma   48.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReSn2
_chemical_formula_sum   'Ba1 Re1 Sn2'
_cell_volume   113.47
_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  0.0  1.0
  Re  Re1  1  0.39  0.0  0.33  1.0
  Sn  Sn2  1  0.07  0.0  0.29  1.0
  Sn  Sn3  1  0.72  0.0  0.38  1.0

data_BaReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.76
_cell_length_c   6.93
_cell_angle_alpha   104.42
_cell_angle_beta   90.0
_cell_angle_gamma   114.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReSn2
_chemical_formula_sum   'Ba1 Re1 Sn2'
_cell_volume   113.47
_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  0.0  1.0
  Re  Re1  1  0.0  0.61  0.67  1.0
  Sn  Sn2  1  0.0  0.28  0.62  1.0
  Sn  Sn3  1  0.0  0.93  0.71  1.0

Ba Re Sn Sn
Ba Re Sn Sn 0 2 o o o 1 2 o o o 1 3 o o o 