data_[Pr6Ta2Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9740]
_cell_length_b [6.7778]
_cell_length_c [5.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ta(ClO3)2]
_chemical_formula_sum '[Pr6 Ta2 Cl4 O12]'
_cell_volume [454.8843]
_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
[
  Pr  Pr0  4  0.2500  0.2500  0.5000  1
  Pr  Pr1  2  0.0000  0.5000  0.0000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.2119  0.5000  0.8670  1
  O  O4  8  0.0564  0.2297  0.3019  1
  O  O5  4  0.1595  0.0000  0.6691  1
]