data_[Cu3As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1067]
_cell_length_b [5.7250]
_cell_length_c [6.4624]
_cell_angle_alpha [72.2375]
_cell_angle_beta [87.2363]
_cell_angle_gamma [67.4969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu3(AsO4)2]
_chemical_formula_sum '[Cu3 As2 O8]'
_cell_volume [165.7230]
_cell_formula_units_Z [1]
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  2  0.2594  0.1949  0.3295  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  As  As2  2  0.3605  0.3344  0.7861  1.0
  O  O3  2  0.1421  0.6482  0.6417  1.0
  O  O4  2  0.2113  0.2077  0.0251  1.0
  O  O5  2  0.3144  0.6686  0.1536  1.0
  O  O6  2  0.3784  0.1170  0.6383  1.0
]