# generated using pymatgen
data_CuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29405979
_cell_length_b   5.10578225
_cell_length_c   5.10578178
_cell_angle_alpha   74.40846253
_cell_angle_beta   58.77248401
_cell_angle_gamma   58.77248530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2
_chemical_formula_sum   'Cu2 As4'
_cell_volume   100.91664947
_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  0.25000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.75000000  0.00000000  0.00000000  1.0
  As  As2  1  0.14782600  0.50000000  0.20434800  1.0
  As  As3  1  0.35217400  0.79565200  0.50000000  1.0
  As  As4  1  0.64782600  0.20434800  0.50000000  1.0
  As  As5  1  0.85217400  0.50000000  0.79565200  1.0