data_[Li8As4O12]
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 [C2/m]
_cell_length_a [5.2013]
_cell_length_b [8.8854]
_cell_length_c [5.1202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2AsO3]
_chemical_formula_sum '[Li8 As4 O12]'
_cell_volume [222.1644]
_cell_formula_units_Z [4]
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  0.0000  0.3417  0.5000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Li  Li2  2  0.0000  0.5000  0.0000  1
  As  As3  4  0.0000  0.1670  0.0000  1
  O  O4  8  0.2497  0.1799  0.7754  1
  O  O5  4  0.2406  0.0000  0.2502  1
]