# generated using pymatgen
data_TaCo3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58451797
_cell_length_b   5.58451912
_cell_length_c   5.58451861
_cell_angle_alpha   95.21134508
_cell_angle_beta   95.21134873
_cell_angle_gamma   95.21135821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo3B2
_chemical_formula_sum   'Ta3 Co9 B6'
_cell_volume   171.86252906
_cell_formula_units_Z   3
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
  Ta  Ta0  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.66794838  0.66794838  0.66794838  1.0
  Ta  Ta2  1  0.33205162  0.33205162  0.33205162  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.70017452  0.20183495  0.70017452  1.0
  Co  Co7  1  0.70017452  0.70017452  0.20183495  1.0
  Co  Co8  1  0.20183495  0.70017452  0.70017452  1.0
  Co  Co9  1  0.29982548  0.79816505  0.29982548  1.0
  Co  Co10  1  0.29982548  0.29982548  0.79816505  1.0
  Co  Co11  1  0.79816505  0.29982548  0.29982548  1.0
  B  B12  1  0.61643888  0.38356112  0.00000000  1.0
  B  B13  1  0.00000000  0.61643888  0.38356112  1.0
  B  B14  1  0.38356112  1.00000000  0.61643888  1.0
  B  B15  1  1.00000000  0.38356112  0.61643888  1.0
  B  B16  1  0.61643888  0.00000000  0.38356112  1.0
  B  B17  1  0.38356112  0.61643888  1.00000000  1.0