data_[Pm8Ta12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9509]
_cell_length_b [5.8249]
_cell_length_c [7.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Ta3O10]
_chemical_formula_sum '[Pm8 Ta12 O40]'
_cell_volume [777.7289]
_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
[
  Pm  Pm0  4  0.0917  0.5000  0.4617  1
  Pm  Pm1  4  0.1836  0.5000  0.0218  1
  Ta  Ta2  4  0.0000  0.2544  0.0000  1
  Ta  Ta3  4  0.0838  0.0000  0.6730  1
  Ta  Ta4  4  0.1882  0.0000  0.3301  1
  O  O5  8  0.1107  0.2663  0.1796  1
  O  O6  8  0.1462  0.2616  0.7712  1
  O  O7  4  0.0000  0.2373  0.5000  1
  O  O8  4  0.0208  0.5000  0.8329  1
  O  O9  4  0.0285  0.0000  0.8496  1
  O  O10  4  0.1172  0.0000  0.4645  1
  O  O11  4  0.2213  0.0000  0.1275  1
  O  O12  4  0.2500  0.2500  0.5000  1
]