data_[Pa3Mn9Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6838]
_cell_length_b [6.6838]
_cell_length_c [18.5523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pa(MnSe2)3]
_chemical_formula_sum '[Pa3 Mn9 Se18]'
_cell_volume [717.7489]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8425  1
  Mn  Mn1  3  0.0000  0.0000  0.1590  1
  Mn  Mn2  3  0.0000  0.0000  0.3443  1
  Mn  Mn3  3  0.0000  0.0000  0.6583  1
  Se  Se4  9  0.0069  0.6571  0.4131  1
  Se  Se5  9  0.0157  0.3681  0.9189  1
]