# generated using pymatgen
data_CuAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78777091
_cell_length_b   5.78777091
_cell_length_c   5.78777135
_cell_angle_alpha   51.32919719
_cell_angle_beta   51.32919719
_cell_angle_gamma   51.32920558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsO3
_chemical_formula_sum   'Cu2 As2 O6'
_cell_volume   109.09535595
_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  0.86932900  0.86932900  0.86932900  1.0
  Cu  Cu1  1  0.13067100  0.13067100  0.13067100  1.0
  As  As2  1  0.66221700  0.66221700  0.66221700  1.0
  As  As3  1  0.33778300  0.33778300  0.33778300  1.0
  O  O4  1  0.55112600  0.93465700  0.29938100  1.0
  O  O5  1  0.70061900  0.44887400  0.06534300  1.0
  O  O6  1  0.06534300  0.70061900  0.44887400  1.0
  O  O7  1  0.93465700  0.29938100  0.55112600  1.0
  O  O8  1  0.29938100  0.55112600  0.93465700  1.0
  O  O9  1  0.44887400  0.06534300  0.70061900  1.0