data_[Li4As4O12]
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 [4.9513]
_cell_length_b [8.4578]
_cell_length_c [5.4026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAsO3]
_chemical_formula_sum '[Li4 As4 O12]'
_cell_volume [206.6249]
_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  0.1674  0.0000  0.8631  1.0
  As  As1  4  0.0000  0.3307  0.5000  1.0
  O  O2  8  0.2211  0.3161  0.2920  1.0
  O  O3  4  0.2168  0.5000  0.7198  1.0
]