data_[Ta18V4O50]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [15.9260]
_cell_length_b [15.9260]
_cell_length_c [3.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ta9V2O25]
_chemical_formula_sum '[Ta18 V4 O50]'
_cell_volume [1010.9490]
_cell_formula_units_Z [2]
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  8  0.0989  0.2225  0.0000  1
  Ta  Ta1  8  0.1253  0.6801  0.0000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  V  V3  4  0.0000  0.5000  0.2500  1
  O  O4  8  0.0148  0.7203  0.0000  1
  O  O5  8  0.0504  0.1165  0.0000  1
  O  O6  8  0.0601  0.4159  0.5000  1
  O  O7  8  0.1121  0.2492  0.5000  1
  O  O8  8  0.1501  0.6622  0.5000  1
  O  O9  8  0.1782  0.7873  0.0000  1
  O  O10  2  0.0000  0.0000  0.5000  1
]