data_[Na8Nd6Ga2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5809]
_cell_length_b [8.3668]
_cell_length_c [8.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Nd3GaSe8]
_chemical_formula_sum '[Na8 Nd6 Ga2 Se16]'
_cell_volume [858.2954]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd3  4  0.2500  0.2500  0.5000  1.0
  Nd  Nd4  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
  Se  Se6  8  0.0016  0.2272  0.2771  1.0
  Se  Se7  4  0.2420  0.0000  0.7365  1.0
  Se  Se8  4  0.2455  0.5000  0.7383  1.0
]