data_[Cu2Ag1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1431]
_cell_length_b [4.3470]
_cell_length_c [5.3491]
_cell_angle_alpha [87.5831]
_cell_angle_beta [88.3715]
_cell_angle_gamma [81.8323]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2AgO4]
_chemical_formula_sum '[Cu2 Ag1 O4]'
_cell_volume [95.2500]
_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  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.2276  0.2329  0.2720  1.0
  O  O4  2  0.2571  0.2499  0.7300  1.0
]