data_CrRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   145.31
_cell_angle_beta   129.14
_cell_angle_gamma   63.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe3
_chemical_formula_sum   'Cr1 Re3'
_cell_volume   57.23
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.51  0.0  0.03  1.0
  Re  Re2  1  0.0  0.0  0.33  1.0
  Re  Re3  1  0.0  0.18  0.3  1.0

data_CrRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.36
_cell_length_c   5.08
_cell_angle_alpha   115.43
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe3
_chemical_formula_sum   'Cr1 Re3'
_cell_volume   57.23
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.48  0.97  0.48  1.0
  Re  Re2  1  0.67  0.67  0.67  1.0
  Re  Re3  1  0.7  0.88  0.88  1.0

Cr Re Re Re