data_[Na4Be4In8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6298]
_cell_length_b [9.9964]
_cell_length_c [9.5967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NaBe(InSe2)2]
_chemical_formula_sum '[Na4 Be4 In8 Se16]'
_cell_volume [827.8704]
_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
[
  Na  Na0  4  0.0000  0.0000  0.9515  1.0
  Be  Be1  4  0.0000  0.0000  0.5056  1.0
  In  In2  8  0.2500  0.2500  0.2363  1.0
  Se  Se3  8  0.0000  0.2080  0.4061  1.0
  Se  Se4  8  0.2193  0.0000  0.6289  1.0
]