data_[Li1Nd2Ag1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6256]
_cell_length_b [4.1186]
_cell_length_c [7.1419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiNd2AgS4]
_chemical_formula_sum '[Li1 Nd2 Ag1 S4]'
_cell_volume [181.4169]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  1  0.5000  0.0000  0.5000  1.0
  Nd  Nd2  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag3  1  0.0000  0.5000  0.5000  1.0
  S  S4  2  0.2465  0.0000  0.7514  1.0
  S  S5  2  0.2476  0.5000  0.2438  1.0
]