data_[Pa12Cu2Tc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9096]
_cell_length_b [11.2226]
_cell_length_c [6.9224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa6CuTc5]
_chemical_formula_sum '[Pa12 Cu2 Tc10]'
_cell_volume [516.1417]
_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
[
  Pa  Pa0  8  0.2350  0.3274  0.7283  1
  Pa  Pa1  4  0.2182  0.5000  0.2238  1
  Tc  Tc2  4  0.0000  0.1350  0.5000  1
  Tc  Tc3  4  0.0000  0.3186  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.0000  1
  Tc  Tc5  2  0.0000  0.5000  0.5000  1
]