data_Cr4Re3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86
_cell_length_b   10.86
_cell_length_c   10.86
_cell_angle_alpha   164.46
_cell_angle_beta   164.46
_cell_angle_gamma   22.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4Re3
_chemical_formula_sum   'Cr4 Re3'
_cell_volume   91.91
_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  0.88  1.0
  Cr  Cr1  1  0.0  0.0  0.09  1.0
  Cr  Cr2  1  0.0  0.0  0.22  1.0
  Cr  Cr3  1  0.0  0.0  0.44  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.0  0.0  0.21  1.0
  Re  Re6  1  0.0  0.0  0.1  1.0

data_Cr4Re3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr4Re3
_chemical_formula_sum   'Cr8 Re6'
_cell_volume   183.82
_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  2  0.0  0.0  0.12  1.0
  Cr  Cr1  2  0.0  0.0  0.56  1.0
  Cr  Cr2  2  0.0  0.0  0.78  1.0
  Cr  Cr3  2  0.0  0.0  0.91  1.0
  Re  Re4  2  0.0  0.0  0.0  1.0
  Re  Re5  2  0.0  0.0  0.79  1.0
  Re  Re6  2  0.0  0.0  0.9  1.0

Cr Cr Cr Cr Re Re Re