data_Cr8Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   98.22
_cell_angle_beta   98.22
_cell_angle_gamma   135.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr8Re
_chemical_formula_sum   'Cr8 Re1'
_cell_volume   109.76
_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  0.47  0.0  1.0
  Cr  Cr1  1  0.0  0.77  0.0  1.0
  Cr  Cr2  1  0.77  0.0  0.0  1.0
  Cr  Cr3  1  0.24  0.76  0.09  1.0
  Cr  Cr4  1  0.24  0.24  0.09  1.0
  Cr  Cr5  1  0.47  0.0  0.0  1.0
  Cr  Cr6  1  0.38  0.38  0.0  1.0
  Cr  Cr7  1  0.76  0.24  0.09  1.0
  Re  Re8  1  0.0  0.0  0.0  1.0

data_Cr8Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   10.24
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   112.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr8Re
_chemical_formula_sum   'Cr16 Re2'
_cell_volume   219.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  -0.0  0.24  0.91  1.0
  Cr  Cr1  4  0.12  0.12  -0.0  1.0
  Cr  Cr2  4  0.26  0.26  -0.0  1.0
  Cr  Cr3  2  0.12  0.5  -0.0  1.0
  Cr  Cr4  2  0.26  0.5  0.91  1.0
  Re  Re5  2  0.0  0.0  0.0  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Re