# generated using pymatgen
data_CrCu6BrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36116007
_cell_length_b   6.36115926
_cell_length_c   6.36116033
_cell_angle_alpha   59.99999948
_cell_angle_beta   60.00000367
_cell_angle_gamma   59.99999535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu6BrO8
_chemical_formula_sum   'Cr1 Cu6 Br1 O8'
_cell_volume   182.00944796
_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
  Cr  Cr0  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  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.13561318  0.13561318  0.59316046  1.0
  O  O9  1  0.13561318  0.59316046  0.13561318  1.0
  O  O10  1  0.59316046  0.13561318  0.13561318  1.0
  O  O11  1  0.86438682  0.40683954  0.86438682  1.0
  O  O12  1  0.13561318  0.13561318  0.13561318  1.0
  O  O13  1  0.86438682  0.86438682  0.86438682  1.0
  O  O14  1  0.86438682  0.86438682  0.40683954  1.0
  O  O15  1  0.40683954  0.86438682  0.86438682  1.0