# generated using pymatgen
data_CrCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18734726
_cell_length_b   7.03510295
_cell_length_c   7.40333887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoB
_chemical_formula_sum   'Cr8 Co8 B8'
_cell_volume   218.09065889
_cell_formula_units_Z   8
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  0.50000000  0.33790500  0.50000000  1
  Cr  Cr1  1  0.00000000  0.16209500  0.50000000  1
  Cr  Cr2  1  0.50000000  0.83790500  0.00000000  1
  Cr  Cr3  1  0.00000000  0.66209500  0.00000000  1
  Cr  Cr4  1  0.00000000  0.33790500  0.00000000  1
  Cr  Cr5  1  0.50000000  0.16209500  0.00000000  1
  Cr  Cr6  1  0.00000000  0.83790500  0.50000000  1
  Cr  Cr7  1  0.50000000  0.66209500  0.50000000  1
  Co  Co8  1  0.50000000  0.00000000  0.66804800  1
  Co  Co9  1  0.00000000  0.50000000  0.33195200  1
  Co  Co10  1  0.50000000  0.50000000  0.16804800  1
  Co  Co11  1  0.00000000  0.00000000  0.83195200  1
  Co  Co12  1  0.00000000  0.00000000  0.16804800  1
  Co  Co13  1  0.50000000  0.50000000  0.83195200  1
  Co  Co14  1  0.00000000  0.50000000  0.66804800  1
  Co  Co15  1  0.50000000  0.00000000  0.33195200  1
  B  B16  1  0.75000000  0.25000000  0.25000000  1
  B  B17  1  0.25000000  0.25000000  0.25000000  1
  B  B18  1  0.75000000  0.75000000  0.75000000  1
  B  B19  1  0.25000000  0.75000000  0.75000000  1
  B  B20  1  0.25000000  0.25000000  0.75000000  1
  B  B21  1  0.75000000  0.25000000  0.75000000  1
  B  B22  1  0.25000000  0.75000000  0.25000000  1
  B  B23  1  0.75000000  0.75000000  0.25000000  1
