# generated using pymatgen
data_Cu3As4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98328591
_cell_length_b   6.98328591
_cell_length_c   6.98328591
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3As4(OF)6
_chemical_formula_sum   'Cu3 As4 O6 F6'
_cell_volume   262.15465828
_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
  Cu  Cu0  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1.0
  As  As3  1  0.70465000  0.70465000  0.70465000  1.0
  As  As4  1  0.29535000  0.00000000  0.00000000  1.0
  As  As5  1  0.00000000  0.29535000  0.00000000  1.0
  As  As6  1  0.00000000  0.00000000  0.29535000  1.0
  O  O7  1  0.75809000  0.75809000  0.00000000  1.0
  O  O8  1  0.24191000  0.00000000  0.24191000  1.0
  O  O9  1  0.00000000  0.24191000  0.24191000  1.0
  O  O10  1  0.24191000  0.24191000  0.00000000  1.0
  O  O11  1  0.75809000  0.00000000  0.75809000  1.0
  O  O12  1  0.00000000  0.75809000  0.75809000  1.0
  F  F13  1  0.50000000  0.25000000  0.75000000  1.0
  F  F14  1  0.75000000  0.25000000  0.50000000  1.0
  F  F15  1  0.75000000  0.50000000  0.25000000  1.0
  F  F16  1  0.50000000  0.75000000  0.25000000  1.0
  F  F17  1  0.25000000  0.50000000  0.75000000  1.0
  F  F18  1  0.25000000  0.75000000  0.50000000  1.0