data_[Ta10O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [19.0623]
_cell_length_b [6.2338]
_cell_length_c [19.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaO]
_chemical_formula_sum '[Ta10 O10]'
_cell_volume [1961.7130]
_cell_formula_units_Z [10]
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  2  0.3830  0.2506  0.4384  1
  Ta  Ta1  2  0.4493  0.2480  0.6040  1
  Ta  Ta2  2  0.4986  0.2477  0.3841  1
  Ta  Ta3  2  0.6533  0.2602  0.5085  1
  Ta  Ta4  1  0.5445  0.0000  0.5424  1
  Ta  Ta5  1  0.5469  0.5000  0.5422  1
  O  O6  2  0.5615  0.2561  0.6300  1
  O  O7  1  0.3172  0.5000  0.3921  1
  O  O8  1  0.3181  0.0000  0.3913  1
  O  O9  1  0.4213  0.0000  0.6438  1
  O  O10  1  0.4216  0.5000  0.6428  1
  O  O11  1  0.4717  0.0000  0.3163  1
  O  O12  1  0.4780  0.5000  0.3187  1
  O  O13  1  0.6747  0.0000  0.5776  1
  O  O14  1  0.7144  0.5000  0.5027  1
]