data_[Pa4Re1Ge1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1304]
_cell_length_b [4.0242]
_cell_length_c [7.1435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa4ReGeSe2]
_chemical_formula_sum '[Pa4 Re1 Ge1 Se2]'
_cell_volume [194.5019]
_cell_formula_units_Z [1]
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  0.2600  0.0000  0.7379  1
  Pa  Pa1  2  0.2685  0.5000  0.2706  1
  Re  Re2  1  0.5000  0.0000  0.5000  1
  Ge  Ge3  1  0.0000  0.5000  0.5000  1
  Se  Se4  1  0.0000  0.0000  0.0000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]