data_[Sr8Np4Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1835]
_cell_length_b [18.8017]
_cell_length_c [12.7976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NpGaSe5]
_chemical_formula_sum '[Sr8 Np4 Ga4 Se20]'
_cell_volume [1006.6254]
_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  0.1171  0.6825  1
  Sr  Sr1  4  0.0000  0.1218  0.3252  1
  Np  Np2  4  0.0000  0.2043  0.0225  1
  Ga  Ga3  4  0.0000  0.4418  0.4354  1
  Se  Se4  4  0.0000  0.0442  0.0421  1
  Se  Se5  4  0.0000  0.2942  0.6758  1
  Se  Se6  4  0.0000  0.3158  0.3641  1
  Se  Se7  4  0.0000  0.3554  0.0064  1
  Se  Se8  4  0.0000  0.4993  0.7699  1
]