data_InRe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.02
_cell_angle_alpha   119.06
_cell_angle_beta   119.06
_cell_angle_gamma   38.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRe2B
_chemical_formula_sum   'In1 Re2 B1'
_cell_volume   59.17
_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
  In  In1  1  0.4  0.0  0.09  1.0
  Re  Re2  1  0.25  0.0  0.97  1.0
  Re  Re3  1  0.98  0.0  0.6  1.0
  B  B0  1  0.99  0.0  0.1  1.0

data_InRe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.68
_cell_length_c   4.93
_cell_angle_alpha   62.93
_cell_angle_beta   71.61
_cell_angle_gamma   70.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRe2B
_chemical_formula_sum   'In1 Re2 B1'
_cell_volume   59.17
_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
  In  In0  1  0.0  0.31  0.09  1.0
  Re  Re1  1  0.0  0.28  0.97  1.0
  Re  Re2  1  0.0  0.38  0.6  1.0
  B  B3  1  0.0  0.89  0.1  1.0

In Re Re B
In Re Re B 0 1 o o - 0 3 - o o 1 2 - o o 1 3 - o + 