data_CrReSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.49
_cell_angle_alpha   98.83
_cell_angle_beta   98.83
_cell_angle_gamma   43.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReSb2
_chemical_formula_sum   'Cr1 Re1 Sb2'
_cell_volume   77.58
_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  0.81  0.0  0.71  1.0
  Sb  Sb2  1  0.35  0.0  0.98  1.0
  Sb  Sb3  1  0.27  0.0  0.43  1.0

data_CrReSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.58
_cell_length_c   5.49
_cell_angle_alpha   98.83
_cell_angle_beta   90.0
_cell_angle_gamma   111.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReSb2
_chemical_formula_sum   'Cr1 Re1 Sb2'
_cell_volume   77.58
_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  0.0  0.19  0.29  1.0
  Sb  Sb2  1  0.0  0.65  0.02  1.0
  Sb  Sb3  1  0.0  0.73  0.57  1.0

Cr Re Sb Sb