data_[Cu2As2O4]
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 [5.0086]
_cell_length_b [5.2845]
_cell_length_c [5.5570]
_cell_angle_alpha [67.4452]
_cell_angle_beta [70.3448]
_cell_angle_gamma [83.9066]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuAsO2]
_chemical_formula_sum '[Cu2 As2 O4]'
_cell_volume [127.8750]
_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  2  0.0441  0.7295  0.0409  1.0
  As  As1  2  0.3994  0.7935  0.4131  1.0
  O  O2  2  0.2630  0.3893  0.6379  1.0
  O  O3  2  0.3658  0.8387  0.7345  1.0
]