data_SrRe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.11
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   59.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2B
_chemical_formula_sum   'Sr1 Re2 B1'
_cell_volume   84.23
_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
  Sr  Sr3  1  0.56  0.0  0.75  1.0
  Re  Re1  1  0.76  0.0  0.43  1.0
  Re  Re2  1  0.78  0.0  0.37  1.0
  B  B0  1  0.97  0.0  0.48  1.0

data_SrRe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.17
_cell_length_c   6.1
_cell_angle_alpha   70.16
_cell_angle_beta   70.15
_cell_angle_gamma   60.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2B
_chemical_formula_sum   'Sr1 Re2 B1'
_cell_volume   84.23
_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
  Sr  Sr0  1  0.0  0.81  0.75  1.0
  Re  Re1  1  0.0  0.34  0.43  1.0
  Re  Re2  1  0.0  0.41  0.37  1.0
  B  B3  1  0.0  0.49  0.48  1.0

Sr Re Re B
Sr Re Re B 0 3 - o o 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 