data_InReSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.01
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   98.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReSb2
_chemical_formula_sum   'In1 Re1 Sb2'
_cell_volume   97.79
_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  0.76  0.0  0.0  1.0
  Re  Re1  1  0.46  0.0  1.0  1.0
  Sb  Sb2  1  0.47  0.0  0.8  1.0
  Sb  Sb3  1  0.42  0.0  0.19  1.0

data_InReSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   4.01
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   98.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InReSb2
_chemical_formula_sum   'In1 Re1 Sb2'
_cell_volume   97.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.76  0.0  0.0  1.0
  Re  Re1  1  0.46  0.0  1.0  1.0
  Sb  Sb2  1  0.42  0.0  0.19  1.0
  Sb  Sb3  1  0.47  0.0  0.8  1.0

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