data_InCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.73
_cell_angle_alpha   99.28
_cell_angle_beta   99.28
_cell_angle_gamma   119.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoRe2
_chemical_formula_sum   'In1 Co1 Re2'
_cell_volume   61.35
_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  0.62  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.87  0.74  0.29  1.0
  Re  Re3  1  0.87  0.26  0.29  1.0

data_InCoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.07
_cell_length_c   5.23
_cell_angle_alpha   115.55
_cell_angle_beta   99.28
_cell_angle_gamma   101.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoRe2
_chemical_formula_sum   'In1 Co1 Re2'
_cell_volume   61.35
_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  0.0  0.62  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.03  0.74  0.61  1.0
  Re  Re3  1  0.56  0.26  0.14  1.0

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