data_[Pa10Ge2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8306]
_cell_length_b [5.7295]
_cell_length_c [8.0513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5GeSe5]
_chemical_formula_sum '[Pa10 Ge2 Se10]'
_cell_volume [562.2509]
_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  4  0.1661  0.0000  0.3333  1
  Pa  Pa1  4  0.1695  0.0000  0.8354  1
  Pa  Pa2  2  0.0000  0.5000  0.0000  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.1585  0.5000  0.8166  1
  Se  Se5  4  0.1587  0.5000  0.3413  1
  Se  Se6  2  0.0000  0.0000  0.5000  1
]