data_Cr2CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoB
_chemical_formula_sum   'Cr2 Co1 B1'
_cell_volume   38.78
_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  Cr2  1  0.0  0.0  0.12  1.0
  Cr  Cr3  1  0.68  0.0  0.56  1.0
  Co  Co1  1  0.68  0.0  0.96  1.0
  B  B0  1  0.0  0.0  0.09  1.0

data_Cr2CoB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoB
_chemical_formula_sum   'Cr2 Co1 B1'
_cell_volume   38.78
_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  0.12  1.0
  Cr  Cr1  1  0.68  0.0  0.56  1.0
  Co  Co2  1  0.68  0.0  0.96  1.0
  B  B3  1  0.0  0.0  0.09  1.0

Cr Cr Co B
Cr Cr Co B 0 3 o o o 0 2 - o - 1 1 o + o 1 1 + o o 1 2 o o o 2 3 + o + 