data_[Nd6Tc2Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tc  1.9000  1.3500  0.7417
  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 [11.7133]
_cell_length_b [6.7340]
_cell_length_c [5.6506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Tc(ClO3)2]
_chemical_formula_sum '[Nd6 Tc2 Cl4 O12]'
_cell_volume [439.9975]
_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
[
  Nd  Nd0  4  0.2500  0.2500  0.5000  1
  Nd  Nd1  2  0.0000  0.5000  0.0000  1
  Tc  Tc2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.2150  0.5000  0.8689  1
  O  O4  8  0.0563  0.2333  0.3011  1
  O  O5  4  0.1587  0.0000  0.6694  1
]