data_[Sr8Np4Be4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1169]
_cell_length_b [18.0584]
_cell_length_c [12.9182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NpBeSe5]
_chemical_formula_sum '[Sr8 Np4 Be4 Se20]'
_cell_volume [960.4004]
_cell_formula_units_Z [4]
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  4  0.0000  0.1147  0.3371  1
  Sr  Sr1  4  0.0000  0.1149  0.6897  1
  Np  Np2  4  0.0000  0.1959  0.0257  1
  Be  Be3  4  0.0000  0.4367  0.4213  1
  Se  Se4  4  0.0000  0.0421  0.0130  1
  Se  Se5  4  0.0000  0.3005  0.6754  1
  Se  Se6  4  0.0000  0.3128  0.3728  1
  Se  Se7  4  0.0000  0.3498  0.0144  1
  Se  Se8  4  0.0000  0.4971  0.2745  1
]