# generated using pymatgen
data_CoReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29159900
_cell_length_b   5.62657300
_cell_length_c   6.50772200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReB
_chemical_formula_sum   'Co4 Re4 B4'
_cell_volume   120.52575809
_cell_formula_units_Z   4
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  0.75000000  0.85452600  0.55566100  1.0
  Co  Co1  1  0.25000000  0.14547400  0.44433900  1.0
  Co  Co2  1  0.75000000  0.35452600  0.94433900  1.0
  Co  Co3  1  0.25000000  0.64547400  0.05566100  1.0
  Re  Re4  1  0.25000000  0.52889000  0.67180800  1.0
  Re  Re5  1  0.75000000  0.47111000  0.32819200  1.0
  Re  Re6  1  0.25000000  0.02889000  0.82819200  1.0
  Re  Re7  1  0.75000000  0.97111000  0.17180800  1.0
  B  B8  1  0.25000000  0.26840500  0.12465800  1.0
  B  B9  1  0.75000000  0.73159500  0.87534200  1.0
  B  B10  1  0.25000000  0.76840500  0.37534200  1.0
  B  B11  1  0.75000000  0.23159500  0.62465800  1.0