data_[Cu1Ag2As1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0935]
_cell_length_b [5.1275]
_cell_length_c [5.4641]
_cell_angle_alpha [63.5604]
_cell_angle_beta [65.0991]
_cell_angle_gamma [85.8043]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuAg2AsO4]
_chemical_formula_sum '[Cu1 Ag2 As1 O4]'
_cell_volume [114.7453]
_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  1  0.6464  0.7870  0.5201  1.0
  Ag  Ag1  1  0.2637  0.1880  0.5366  1.0
  Ag  Ag2  1  0.4387  0.9358  0.0669  1.0
  As  As3  1  0.0050  0.4990  0.0239  1.0
  O  O4  1  0.0225  0.5720  0.2991  1.0
  O  O5  1  0.3534  0.4427  0.8033  1.0
  O  O6  1  0.7752  0.1774  0.1819  1.0
  O  O7  1  0.8822  0.7851  0.7941  1.0
]