data_[Pa12Ge4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0139]
_cell_length_b [11.9964]
_cell_length_c [7.7904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa3GeTe3]
_chemical_formula_sum '[Pa12 Ge4 Te12]'
_cell_volume [838.8522]
_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
[
  Pa  Pa0  8  0.1658  0.3512  0.3331  1
  Pa  Pa1  4  0.0432  0.0000  0.1918  1
  Ge  Ge2  4  0.2383  0.5000  0.0753  1
  Te  Te3  4  0.0000  0.1586  0.5000  1
  Te  Te4  4  0.0000  0.2402  0.0000  1
  Te  Te5  4  0.1267  0.5000  0.6694  1
]