data_[Na2Sr2Y4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7053]
_cell_length_b [5.7053]
_cell_length_c [11.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [NaSr(YS2)2]
_chemical_formula_sum '[Na2 Sr2 Y4 S8]'
_cell_volume [367.3381]
_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  0.5000  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Y  Y2  4  0.0000  0.5000  0.2500  1.0
  S  S3  4  0.0000  0.0000  0.2554  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]