data_[Na4Ga2Bi2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1438]
_cell_length_b [7.7622]
_cell_length_c [6.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2GaBiS4]
_chemical_formula_sum '[Na4 Ga2 Bi2 S8]'
_cell_volume [432.2049]
_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  0.2492  0.6682  0.9537  1
  Ga  Ga1  2  0.0000  0.1620  0.9997  1
  Bi  Bi2  2  0.0000  0.8237  0.4702  1
  S  S3  4  0.2106  0.3081  0.9211  1
  S  S4  2  0.0000  0.1444  0.3829  1
  S  S5  2  0.0000  0.8719  0.8974  1
]