data_[Pa2Ge2Se6]
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 [P2_1/m]
_cell_length_a [7.3252]
_cell_length_b [4.1094]
_cell_length_c [11.2641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaGeSe3]
_chemical_formula_sum '[Pa2 Ge2 Se6]'
_cell_volume [327.2380]
_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  2  0.2306  0.2500  0.4198  1
  Ge  Ge1  2  0.1177  0.2500  0.8766  1
  Se  Se2  2  0.0585  0.2500  0.6315  1
  Se  Se3  2  0.1088  0.2500  0.1452  1
  Se  Se4  2  0.4614  0.7500  0.3617  1
]