# generated using pymatgen
data_ScCu6BrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42254081
_cell_length_b   6.42254111
_cell_length_c   6.42254014
_cell_angle_alpha   60.00000001
_cell_angle_beta   59.99999843
_cell_angle_gamma   59.99999764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu6BrO8
_chemical_formula_sum   'Sc1 Cu6 Br1 O8'
_cell_volume   187.32924476
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.00000000  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.85912602  0.85912602  0.42262095  1.0
  O  O9  1  0.85912602  0.42262095  0.85912602  1.0
  O  O10  1  0.42262095  0.85912602  0.85912602  1.0
  O  O11  1  0.85912602  0.85912602  0.85912602  1.0
  O  O12  1  0.14087398  0.14087398  0.57737905  1.0
  O  O13  1  0.14087398  0.57737905  0.14087398  1.0
  O  O14  1  0.57737905  0.14087398  0.14087398  1.0
  O  O15  1  0.14087398  0.14087398  0.14087398  1.0