data_[Na4Ga4Si4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2243]
_cell_length_b [12.1969]
_cell_length_c [7.5758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaGaSiSe4]
_chemical_formula_sum '[Na4 Ga4 Si4 Se16]'
_cell_volume [759.9301]
_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  0.5000  0.0000  1.0
  Ga  Ga1  4  0.0000  0.1300  0.2500  1.0
  Si  Si2  4  0.0000  0.1320  0.7500  1.0
  Se  Se3  8  0.0000  0.2492  0.5114  1.0
  Se  Se4  8  0.2145  0.0097  0.7500  1.0
]