data_[Na4Yb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Yb  1.1000  1.7500  1.0840
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4256]
_cell_length_b [6.9296]
_cell_length_c [7.8348]
_cell_angle_alpha [110.7088]
_cell_angle_beta [113.5372]
_cell_angle_gamma [93.5667]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2YbS3]
_chemical_formula_sum '[Na4 Yb2 S6]'
_cell_volume [290.6269]
_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  0.1964  0.4835  0.8856  1
  Na  Na1  1  0.0000  0.0000  0.0000  1
  Na  Na2  1  0.5000  0.5000  0.5000  1
  Yb  Yb3  2  0.3635  0.9989  0.7256  1
  S  S4  2  0.1357  0.1294  0.4052  1
  S  S5  2  0.2237  0.8318  0.2956  1
  S  S6  2  0.4520  0.2761  0.1121  1
]