data_[Pa12P2Os4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9549]
_cell_length_b [12.0199]
_cell_length_c [7.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa6POs2Se3]
_chemical_formula_sum '[Pa12 P2 Os4 Se6]'
_cell_volume [569.9245]
_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  0.2454  0.1697  0.2272  1
  Pa  Pa1  4  0.2355  0.5000  0.2245  1
  P  P2  2  0.0000  0.0000  0.0000  1
  Os  Os3  4  0.0000  0.3330  0.0000  1
  Se  Se4  4  0.0000  0.1623  0.5000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]