data_[Sr2Pa2Mn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2_1/m]
_cell_length_a [6.7406]
_cell_length_b [6.7688]
_cell_length_c [8.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrPaMnSe4]
_chemical_formula_sum '[Sr2 Pa2 Mn2 Se8]'
_cell_volume [369.0911]
_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
[
  Sr  Sr0  2  0.2359  0.2500  0.0539  1
  Pa  Pa1  2  0.2316  0.2500  0.5563  1
  Mn  Mn2  2  0.2393  0.7500  0.3254  1
  Se  Se3  4  0.0226  0.5141  0.7265  1
  Se  Se4  2  0.4419  0.7500  0.1329  1
  Se  Se5  2  0.4576  0.7500  0.6083  1
]