# generated using pymatgen
data_CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16196792
_cell_length_b   6.88975989
_cell_length_c   6.52716013
_cell_angle_alpha   67.73817328
_cell_angle_beta   71.40846733
_cell_angle_gamma   72.41982204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs
_chemical_formula_sum   'Cu5 As5'
_cell_volume   160.63255609
_cell_formula_units_Z   5
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  0.00000000  1.0
  Cu  Cu1  1  0.74511800  0.24130800  0.26845600  1.0
  Cu  Cu2  1  0.25488200  0.75869200  0.73154400  1.0
  Cu  Cu3  1  0.89085600  0.78547700  0.43281000  1.0
  Cu  Cu4  1  0.10914400  0.21452300  0.56719000  1.0
  As  As5  1  0.50000000  0.50000000  0.50000000  1.0
  As  As6  1  0.84214200  0.46529300  0.85042200  1.0
  As  As7  1  0.15785800  0.53470700  0.14957800  1.0
  As  As8  1  0.62968500  0.00363300  0.73699600  1.0
  As  As9  1  0.37031500  0.99636700  0.26300400  1.0