data_[Na2Ga2Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6138]
_cell_length_b [4.1077]
_cell_length_c [10.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGaBiSe3]
_chemical_formula_sum '[Na2 Ga2 Bi2 Se6]'
_cell_volume [374.4304]
_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  2  0.1513  0.7500  0.1401  1
  Ga  Ga1  2  0.0770  0.7500  0.6048  1
  Bi  Bi2  2  0.3702  0.2500  0.8407  1
  Se  Se3  2  0.0974  0.7500  0.8321  1
  Se  Se4  2  0.1926  0.2500  0.5098  1
  Se  Se5  2  0.4037  0.2500  0.1376  1
]