data_[Sr10Pa2Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.1755]
_cell_length_b [9.1755]
_cell_length_c [9.2124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sr5PaSe8]
_chemical_formula_sum '[Sr10 Pa2 Se16]'
_cell_volume [775.5882]
_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  8  0.1210  0.7502  0.1317  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Pa  Pa2  2  0.0000  0.5000  0.7500  1
  Se  Se3  8  0.0659  0.6661  0.4671  1
  Se  Se4  8  0.0715  0.8020  0.7997  1
]