data_[Pa12Mn2Se10]
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 [C2/m]
_cell_length_a [7.0999]
_cell_length_b [12.1357]
_cell_length_c [6.9966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa6MnSe5]
_chemical_formula_sum '[Pa12 Mn2 Se10]'
_cell_volume [565.6268]
_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  0.2270  0.1518  0.2275  1
  Pa  Pa1  4  0.2289  0.0000  0.7520  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1816  0.5000  1
  Se  Se4  4  0.0000  0.3362  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]