data_[Na1Nd1Y2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9007]
_cell_length_b [3.9661]
_cell_length_c [6.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaNd(YS2)2]
_chemical_formula_sum '[Na1 Nd1 Y2 S4]'
_cell_volume [179.4568]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Y  Y2  1  0.0000  0.5000  0.5000  1.0
  Y  Y3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2462  0.0000  0.7375  1.0
  S  S5  2  0.2570  0.5000  0.2609  1.0
]