data_[Li4Cu2As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pmn2_1]
_cell_length_a [6.4374]
_cell_length_b [5.4824]
_cell_length_c [5.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuAsO4]
_chemical_formula_sum '[Li4 Cu2 As2 O8]'
_cell_volume [182.7414]
_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
[
  Li  Li0  4  0.2494  0.3273  0.4985  1.0
  Cu  Cu1  2  0.0000  0.2098  0.9868  1.0
  As  As2  2  0.0000  0.8287  0.5059  1.0
  O  O3  4  0.2169  0.6749  0.3847  1.0
  O  O4  2  0.0000  0.1292  0.4023  1.0
  O  O5  2  0.0000  0.8113  0.8385  1.0
]