# generated using pymatgen
data_Sc5Re2BC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88023539
_cell_length_b   7.88023587
_cell_length_c   3.21795662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.66172345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Re2BC6
_chemical_formula_sum   'Sc5 Re2 B1 C6'
_cell_volume   171.89156716
_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  0.08601967  0.33327332  0.50000000  1.0
  Sc  Sc1  1  0.33327332  0.08601967  0.50000000  1.0
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1.0
  Sc  Sc3  1  0.91398033  0.66672668  0.50000000  1.0
  Sc  Sc4  1  0.66672668  0.91398033  0.50000000  1.0
  Re  Re5  1  0.71512768  0.28487232  0.00000000  1.0
  Re  Re6  1  0.28487232  0.71512768  0.00000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  C  C8  1  0.00000000  0.50000000  0.00000000  1.0
  C  C9  1  0.50000000  0.00000000  0.00000000  1.0
  C  C10  1  0.18739584  0.18739584  0.00000000  1.0
  C  C11  1  0.81260416  0.81260416  0.00000000  1.0
  C  C12  1  0.62070738  0.37929262  0.50000000  1.0
  C  C13  1  0.37929262  0.62070738  0.50000000  1.0