data_CrRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.65
_cell_angle_alpha   100.85
_cell_angle_beta   100.85
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Sb
_chemical_formula_sum   'Cr1 Re2 Sb1'
_cell_volume   63.51
_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  0.66  0.0  0.56  1.0
  Re  Re1  1  0.18  0.0  0.02  1.0
  Re  Re2  1  0.64  0.0  0.92  1.0
  Sb  Sb3  1  0.15  0.0  0.34  1.0

data_CrRe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.65
_cell_length_c   4.85
_cell_angle_alpha   100.85
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Sb
_chemical_formula_sum   'Cr1 Re2 Sb1'
_cell_volume   63.51
_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  0.56  0.66  1.0
  Re  Re1  1  0.0  0.02  0.18  1.0
  Re  Re2  1  0.0  0.92  0.64  1.0
  Sb  Sb3  1  0.0  0.34  0.15  1.0

Cr Re Re Sb
Cr Re Re Sb 0 2 o o o 1 3 o o o 