data_CoReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReB2
_chemical_formula_sum   'Co1 Re1 B2'
_cell_volume   38.7
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.75  1.0
  B  B0  1  0.59  0.0  0.29  1.0
  B  B1  1  0.59  0.0  0.2  1.0

data_CoReB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReB2
_chemical_formula_sum   'Co1 Re1 B2'
_cell_volume   38.7
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.75  1.0
  B  B2  1  0.59  0.0  0.2  1.0
  B  B3  1  0.59  0.0  0.29  1.0

Co Re B B
Co Re B B 0 3 - o o 0 1 o o - 2 3 o o o 