data_[Li4Ti4As4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4131]
_cell_length_b [8.9624]
_cell_length_c [7.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTiAsO5]
_chemical_formula_sum '[Li4 Ti4 As4 O20]'
_cell_volume [376.8131]
_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  0.2886  0.7500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0000  0.3090  0.2500  1.0
  O  O3  8  0.1340  0.2015  0.1305  1.0
  O  O4  8  0.1880  0.4231  0.4327  1.0
  O  O5  4  0.0000  0.0693  0.7500  1.0
]