# generated using pymatgen
data_Nd(ErS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84879057
_cell_length_b   13.00728536
_cell_length_c   12.90095740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(ErS2)2
_chemical_formula_sum   'Nd4 Er8 S16'
_cell_volume   645.85182237
_cell_formula_units_Z   4
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  1  0.75000000  0.87028930  0.41121067  1.0
  Nd  Nd1  1  0.25000000  0.62971070  0.91121067  1.0
  Nd  Nd2  1  0.75000000  0.37028930  0.08878933  1.0
  Nd  Nd3  1  0.25000000  0.12971070  0.58878933  1.0
  Er  Er4  1  0.75000000  0.61000336  0.57285925  1.0
  Er  Er5  1  0.25000000  0.88999664  0.07285925  1.0
  Er  Er6  1  0.75000000  0.11000336  0.92714075  1.0
  Er  Er7  1  0.25000000  0.38999664  0.42714075  1.0
  Er  Er8  1  0.75000000  0.64916144  0.20398915  1.0
  Er  Er9  1  0.25000000  0.85083856  0.70398915  1.0
  Er  Er10  1  0.75000000  0.14916144  0.29601085  1.0
  Er  Er11  1  0.25000000  0.35083856  0.79601085  1.0
  S  S12  1  0.75000000  0.96636235  0.61675555  1.0
  S  S13  1  0.25000000  0.53363765  0.11675555  1.0
  S  S14  1  0.75000000  0.46636235  0.88324445  1.0
  S  S15  1  0.25000000  0.03363765  0.38324445  1.0
  S  S16  1  0.75000000  0.71387663  0.76023011  1.0
  S  S17  1  0.25000000  0.78612337  0.26023011  1.0
  S  S18  1  0.75000000  0.21387663  0.73976989  1.0
  S  S19  1  0.25000000  0.28612337  0.23976989  1.0
  S  S20  1  0.75000000  0.52784860  0.37686861  1.0
  S  S21  1  0.25000000  0.97215140  0.87686861  1.0
  S  S22  1  0.75000000  0.02784860  0.12313139  1.0
  S  S23  1  0.25000000  0.47215140  0.62313139  1.0
  S  S24  1  0.75000000  0.75432627  0.02185309  1.0
  S  S25  1  0.25000000  0.74567373  0.52185309  1.0
  S  S26  1  0.75000000  0.25432627  0.47814691  1.0
  S  S27  1  0.25000000  0.24567373  0.97814691  1.0