data_[Ta4As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [8.0769]
_cell_length_b [6.4806]
_cell_length_c [7.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaAsO4]
_chemical_formula_sum '[Ta4 As4 O16]'
_cell_volume [370.1459]
_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
[
  Ta  Ta0  4  0.1943  0.0000  0.0551  1.0
  As  As1  4  0.1511  0.5000  0.2959  1.0
  O  O2  8  0.1910  0.3136  0.1204  1.0
  O  O3  4  0.0070  0.0000  0.1727  1.0
  O  O4  4  0.0742  0.5000  0.7531  1.0
]