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 [Cmc2_1]
_cell_length_a [3.9403]
_cell_length_b [14.6165]
_cell_length_c [5.6780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TaAsO4]
_chemical_formula_sum '[Ta4 As4 O16]'
_cell_volume [327.0175]
_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  0.0000  0.4090  0.1992  1.0
  As  As1  4  0.0000  0.1789  0.3090  1.0
  O  O2  4  0.0000  0.1077  0.6233  1.0
  O  O3  4  0.0000  0.2964  0.3971  1.0
  O  O4  4  0.0000  0.3267  0.9103  1.0
  O  O5  4  0.0000  0.4826  0.4764  1.0
]