# generated using pymatgen
data_Cu3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24785445
_cell_length_b   4.64591186
_cell_length_c   5.19638819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3As
_chemical_formula_sum   'Cu6 As2'
_cell_volume   102.55153868
_cell_formula_units_Z   2
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  0.00174394  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.33125606  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.51550778  0.25362138  1.0
  Cu  Cu3  1  -0.00000000  0.51550778  0.74637862  1.0
  Cu  Cu4  1  0.50000000  0.81749222  0.24637862  1.0
  Cu  Cu5  1  0.50000000  0.81749222  0.75362138  1.0
  As  As6  1  -0.00000000  0.99324678  0.00000000  1.0
  As  As7  1  0.50000000  0.33975322  0.50000000  1.0