data_[Li2As2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3506]
_cell_length_b [3.0181]
_cell_length_c [7.7402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2As2O5]
_chemical_formula_sum '[Li2 As2 O5]'
_cell_volume [122.1402]
_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
[
  Li  Li0  1  0.1547  0.0000  0.7218  1
  Li  Li1  1  0.8443  0.5000  0.3982  1
  As  As2  1  0.2452  0.0000  0.2009  1
  As  As3  1  0.6990  0.5000  0.7838  1
  O  O4  1  0.1919  0.0000  0.9829  1
  O  O5  1  0.4388  0.5000  0.2820  1
  O  O6  1  0.5027  0.0000  0.6758  1
  O  O7  1  0.9248  0.5000  0.6515  1
  O  O8  1  0.9986  0.0000  0.3031  1
]