data_BaSrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrRe2
_chemical_formula_sum   'Ba1 Sr1 Re2'
_cell_volume   92.26
_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  0.89  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.45  0.28  0.47  1.0
  Re  Re2  1  0.45  0.72  0.47  1.0

data_BaSrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.79
_cell_length_c   6.16
_cell_angle_alpha   118.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrRe2
_chemical_formula_sum   'Ba1 Sr1 Re2'
_cell_volume   92.26
_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  0.89  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.47  0.28  0.73  1.0
  Re  Re3  1  0.47  0.72  0.17  1.0

Ba Sr Re Re
Ba Sr Re Re 0 1 + o o 0 2 + o o 0 2 + o - 0 3 o - o 0 3 o - - 1 2 o o o 1 2 o o - 1 3 - - o 1 3 - - - 2 3 o o o 2 2 o o + 3 3 o o + 