data_[Nd2Er8S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9098]
_cell_length_b [3.7987]
_cell_length_c [11.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdEr4S7]
_chemical_formula_sum '[Nd2 Er8 S14]'
_cell_volume [552.7063]
_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  0.3886  0.5000  0.5806  1
  Er  Er1  2  0.0011  0.0000  0.0030  1
  Er  Er2  2  0.1121  0.0000  0.4174  1
  Er  Er3  2  0.2009  0.5000  0.8157  1
  Er  Er4  2  0.3001  0.0000  0.1852  1
  S  S5  2  0.0042  0.5000  0.4933  1
  S  S6  2  0.0462  0.0000  0.7926  1
  S  S7  2  0.1593  0.5000  0.0511  1
  S  S8  2  0.2378  0.5000  0.3465  1
  S  S9  2  0.2500  0.0000  0.6498  1
  S  S10  2  0.3433  0.0000  0.9505  1
  S  S11  2  0.4565  0.5000  0.2144  1
]