data_[Nd2Er4Ag6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5218]
_cell_length_b [4.0745]
_cell_length_c [9.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdEr2(AgS2)3]
_chemical_formula_sum '[Nd2 Er4 Ag6 S12]'
_cell_volume [580.1152]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.0000  1.0
  Er  Er1  4  0.1666  0.0000  0.3376  1.0
  Ag  Ag2  4  0.1725  0.0000  0.9411  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0101  0.0000  0.7979  1.0
  S  S5  4  0.1577  0.5000  0.5191  1.0
  S  S6  4  0.1874  0.5000  0.1482  1.0
]