data_Cr2ReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   3.69
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReB
_chemical_formula_sum   'Cr2 Re1 B1'
_cell_volume   45.54
_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  Cr1  1  0.87  0.85  0.64  1.0
  Cr  Cr2  1  0.79  0.0  0.08  1.0
  Re  Re3  1  0.67  0.85  0.43  1.0
  B  B0  1  0.73  0.0  0.59  1.0

data_Cr2ReB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.69
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReB
_chemical_formula_sum   'Cr2 Re1 B1'
_cell_volume   45.54
_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  0.79  0.0  0.08  1.0
  Cr  Cr1  1  0.87  0.85  0.64  1.0
  Re  Re2  1  0.67  0.85  0.43  1.0
  B  B3  1  0.73  0.0  0.59  1.0

Cr Cr Re B