data_CrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   103.15
_cell_angle_beta   103.15
_cell_angle_gamma   123.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2
_chemical_formula_sum   'Cr2 Re4'
_cell_volume   84.95
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.0  0.0  0.16  1.0
  Cr  Cr1  1  0.0  0.0  0.48  1.0
  Re  Re2  1  0.11  0.92  0.0  1.0
  Re  Re3  1  0.11  0.08  0.32  1.0
  Re  Re4  1  0.92  0.94  0.0  1.0
  Re  Re5  1  0.92  0.11  0.32  1.0

data_CrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   76.85
_cell_angle_beta   61.51
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2
_chemical_formula_sum   'Cr2 Re4'
_cell_volume   84.95
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.52  0.48  0.0  1.0
  Cr  Cr1  1  0.84  0.16  0.0  1.0
  Re  Re2  1  0.76  0.32  0.02  1.0
  Re  Re3  1  0.78  0.32  0.81  1.0
  Re  Re4  1  0.92  0.0  0.19  1.0
  Re  Re5  1  0.94  0.0  0.98  1.0

Cr Cr Re Re Re Re
Cr Cr Re Re Re Re 0 4 - - o 0 3 o o o 0 2 o - o 0 5 - o o 1 5 - o o 1 3 o o o 2 4 - o o 3 5 - o o 