data_CrCoB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   2.53
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoB2
_chemical_formula_sum   'Cr1 Co1 B2'
_cell_volume   33.08
_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  Cr3  1  0.0  0.0  0.05  1.0
  Co  Co2  1  0.76  0.0  0.91  1.0
  B  B0  1  0.76  0.0  0.92  1.0
  B  B1  1  0.0  0.0  0.03  1.0

data_CrCoB2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.53
_cell_length_b   2.53
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCoB2
_chemical_formula_sum   'Cr1 Co1 B2'
_cell_volume   33.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.05  1.0
  Co  Co1  1  0.76  0.0  0.91  1.0
  B  B2  1  0.0  0.0  0.03  1.0
  B  B3  1  0.76  0.0  0.92  1.0

Cr Co B B