# generated using pymatgen
data_Cu3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19066203
_cell_length_b   7.19066203
_cell_length_c   7.40477200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3As
_chemical_formula_sum   'Cu18 As6'
_cell_volume   331.57369969
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.75000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.25000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.65355400  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.84644600  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.34644600  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.15355400  1.0
  Cu  Cu6  1  0.37005400  0.05402700  0.08092000  1.0
  Cu  Cu7  1  0.94597300  0.31602700  0.08092000  1.0
  Cu  Cu8  1  0.68397300  0.62994600  0.08092000  1.0
  Cu  Cu9  1  0.31602700  0.94597300  0.41908000  1.0
  Cu  Cu10  1  0.62994600  0.68397300  0.41908000  1.0
  Cu  Cu11  1  0.05402700  0.37005400  0.41908000  1.0
  Cu  Cu12  1  0.62994600  0.94597300  0.91908000  1.0
  Cu  Cu13  1  0.05402700  0.68397300  0.91908000  1.0
  Cu  Cu14  1  0.31602700  0.37005400  0.91908000  1.0
  Cu  Cu15  1  0.68397300  0.05402700  0.58092000  1.0
  Cu  Cu16  1  0.37005400  0.31602700  0.58092000  1.0
  Cu  Cu17  1  0.94597300  0.62994600  0.58092000  1.0
  As  As18  1  0.66327000  0.66327000  0.75000000  1.0
  As  As19  1  0.00000000  0.33673000  0.75000000  1.0
  As  As20  1  0.33673000  0.00000000  0.75000000  1.0
  As  As21  1  0.33673000  0.33673000  0.25000000  1.0
  As  As22  1  0.00000000  0.66327000  0.25000000  1.0
  As  As23  1  0.66327000  0.00000000  0.25000000  1.0