data_[Na2Sm6Si2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.1532]
_cell_length_b [10.1532]
_cell_length_c [5.7379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [NaSm3SiS7]
_chemical_formula_sum '[Na2 Sm6 Si2 S14]'
_cell_volume [512.2583]
_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  0.0000  0.0000  0.0186  1
  Sm  Sm1  6  0.1268  0.7657  0.7514  1
  Si  Si2  2  0.3333  0.6667  0.1645  1
  S  S3  6  0.0913  0.8307  0.2708  1
  S  S4  6  0.1120  0.5224  0.0166  1
  S  S5  2  0.3333  0.6667  0.5323  1
]