# generated using pymatgen
data_Sc2Co9SnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65384119
_cell_length_b   5.65384085
_cell_length_c   5.65384027
_cell_angle_alpha   95.48901464
_cell_angle_beta   95.48901810
_cell_angle_gamma   95.48899986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co9SnB6
_chemical_formula_sum   'Sc2 Co9 Sn1 B6'
_cell_volume   178.07198670
_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
  Sc  Sc0  1  0.67159311  0.67159311  0.67159311  1.0
  Sc  Sc1  1  0.32840689  0.32840689  0.32840689  1.0
  Co  Co2  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co4  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co5  1  0.70250932  0.19997707  0.70250932  1.0
  Co  Co6  1  0.70250932  0.70250932  0.19997707  1.0
  Co  Co7  1  0.19997707  0.70250932  0.70250932  1.0
  Co  Co8  1  0.29749068  0.80002293  0.29749068  1.0
  Co  Co9  1  0.29749068  0.29749068  0.80002293  1.0
  Co  Co10  1  0.80002293  0.29749068  0.29749068  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.00000000  1.0
  B  B12  1  0.38675389  0.00000000  0.61324611  1.0
  B  B13  1  0.61324611  0.38675389  0.00000000  1.0
  B  B14  1  1.00000000  0.61324611  0.38675389  1.0
  B  B15  1  0.61324611  1.00000000  0.38675389  1.0
  B  B16  1  0.38675389  0.61324611  1.00000000  1.0
  B  B17  1  0.00000000  0.38675389  0.61324611  1.0