data_[Ti4As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [8.3676]
_cell_length_b [6.4393]
_cell_length_c [6.4274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiAsO4]
_chemical_formula_sum '[Ti4 As4 O16]'
_cell_volume [325.1475]
_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
[
  Ti  Ti0  2  0.2449  0.5000  0.5962  1.0
  Ti  Ti1  2  0.2832  0.0000  0.4257  1.0
  As  As2  2  0.1942  0.0000  0.8496  1.0
  As  As3  2  0.3255  0.5000  0.1791  1.0
  O  O4  4  0.2575  0.1907  0.7044  1.0
  O  O5  4  0.2746  0.3156  0.3654  1.0
  O  O6  2  0.0236  0.5000  0.5618  1.0
  O  O7  2  0.0469  0.0000  0.3042  1.0
  O  O8  2  0.3180  0.0000  0.1232  1.0
  O  O9  2  0.4842  0.5000  0.8153  1.0
]